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Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride

CAS #:

Linear Formula:

C20H30Cl2Zr

MDL Number:

MFCD00058849

EC No.:

N/A

ORDER

PRODUCT Product Code ORDER SAFETY DATA TECHNICAL DATA
(2N) 99% Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride
ZR-OMX-02
Pricing > SDS > Data Sheet >
(3N) 99.9% Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride
ZR-OMX-03
Pricing > SDS > Data Sheet >
(4N) 99.99% Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride
ZR-OMX-04
Pricing > SDS > Data Sheet >
(5N) 99.999% Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride
ZR-OMX-05
Pricing > SDS > Data Sheet >

Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride Properties (Theoretical)

Compound Formula C20H30Cl2Zr
Molecular Weight 432.58
Appearance Pale yellow crystalline solid
Melting Point N/A
Boiling Point N/A
Density N/A
Solubility in H2O N/A
Exact Mass 430.077161
Monoisotopic Mass 430.077161

Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride Health & Safety Information

Signal Word Danger
Hazard Statements H261-H301-H311-H332-H314-H318
Hazard Codes Xn, C
Risk Codes 14-20/21/22-34
Safety Statements 26-36/37/39-45
RTECS Number N/A
Transport Information UN3096 8/PG II
WGK Germany N/A
GHS Pictograms

View and Print SDS

SAFETY DATA SHEET

Date Accessed: 10/17/2019
Date Revised: 05/15/2015

SECTION 1. IDENTIFICATION

Product Name: Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride

Product Number: All applicable American Elements product codes, e.g. ZR-OMX-02 02 , ZR-OMX-03 03 , ZR-OMX-04 04 , ZR-OMX-05 05

CAS #: 54039-38-2

Relevant identified uses of the substance: Scientific research and development

Supplier details:
American Elements
10884 Weyburn Ave.
Los Angeles, CA 90024
Tel: +1 310-208-0551
Fax: +1 310-208-0351

Emergency telephone number:
Domestic, North America: +1 800-424-9300
International: +1 703-527-3887


SECTION 2. HAZARDS IDENTIFICATION

OSHA Haz Com: CFR 1910.1200: Acute Toxicity - Oral [Category 4]
Acute Toxicity - Dermal [Category 4]
Acute Toxicity - Inhalation [Category 4]
Eye Damage/Irritation [Category 1]
Corrosive to Metals [Category 1]
Skin Corrosion/Irritation [Category 1C]
Signal word: Danger!
Hazard Statement(s): Causes serious eye damage
Causes severe skin burns and eye damage
Harmful if swallowed
Harmful in contact with skin
Harmful if inhaled
May be corrosive to metals

Corrosion - GHS05Exclamation Mark - GHS07

Pictogram(s) or Symbol(s):
Precautionary Statement(s):
[Prevention] Do not eat, drink or smoke when using this product. Wash hands and face thoroughly after handling. Wear
protective gloves and protective clothing. Avoid breathing dusts or mists. Use only outdoors or in a wellventilated
area. Do not breathe dusts or mists. Wear protective gloves, protective clothing, eye protection
and face protection. Wear eye protection. Wear face protection (full length face shield). Keep only in
original container.
[Response] If swallowed: Immediately call a poison center or doctor. Rinse mouth. If on skin: Wash with plenty of
water. Call a poison center or doctor if you feel unwell. Take off contaminated clothing and wash it before
reuse. If inhaled: Remove person to fresh air and keep comfortable for breathing. If swallowed: Rinse
mouth. Do NOT induce vomiting. If on skin (or hair): Take off immediately all contaminated clothing. Rinse
skin with water or shower. Wash contaminated clothing before reuse. Immediately call a poison center or
doctor. If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and
easy to do. Continue rinsing. Absorb spillage to prevent material damage.
[Storage] Store locked up. Store in corrosive resistant container with a resistant inner liner.
[Disposal] Dispose of contents and container in accordance with US EPA guidelines for the classification and
determination of hazardous waste listed in 40 CFR 261.3. (See Section 13)


SECTION 3. COMPOSITION/INFORMATION ON INGREDIENTS

Substance/Mixture: Substance
Components: Decamethylzirconocene Dichloride
Percent: >98.0%(T)
CAS Number: 54039-38-2
Molecular Weight: 432.58
Chemical Formula: C20H30Cl2Zr
Synonyms: Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride


SECTION 4. FIRST AID MEASURES

Inhalation: Immediately call a poison center or doctor. Effects of exposure (inhalation) to substance may be delayed.
Move victim to fresh air. Give artificial respiration if victim is not breathing. Administer oxygen if breathing is
difficult. Keep victim warm and quiet. Treat symptomatically and supportively. Ensure that medical
personnel are aware of the material(s) involved and take precautions to protect themselves.
Skin contact: For severe burns, immediate medical attention is required. Immediately call a poison center or doctor.
Remove and wash contaminated clothing before re-use. Remove and isolate contaminated clothing and
shoes. In case of contact with substance, immediately flush skin with running water for at least 20 minutes.
Treat symptomatically and supportively. Ensure that medical personnel are aware of the material(s)
involved and take precautions to protect themselves.
Eye contact: IMMEDIATELY flush eyes with running water for at least 15 minutes, keeping eyelids open. Eye contact
with vapors or substance may cause severe injury, burns, or death. Call emergency medical service. Move
victim to fresh air. Check for and remove any contact lenses. Keep victim warm and quiet. Treat
symptomatically and supportively. Effects of exposure to substance may be delayed. Ensure that medical
personnel are aware of the material(s) involved and take precautions to protect themselves.
Ingestion: Harmful if swallowed. Do not induce vomiting with out medical advice. Call a physician or Poison Control
Center immediately. Do not use mouth-to-mouth method if victim ingested the substance; give artificial
respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory
medical device. Loosen tight clothing such as a collar, tie, belt or waistband. If a person vomits place them
in the recovery position so that vomit will not reenter the mouth and throat. Rinse mouth. Keep victim warm
and quiet. Treat symptomatically and supportively. Ensure that medical personnel are aware of the
material(s) involved and take precautions to protect themselves.
Symptoms/effects:
Acute: Pain. Redness.
Delayed: No data available
Immediate medical attention: WARNING: It might be hazardous to the person providing aid to give mouth-to-mouth respiration, because
the inhaled material is harmful. WARNING: It might be hazardous to the person providing aid to give
mouth-to-mouth respiration, because the inhaled material is corrosive. For severe burns, immediate
medical attention is required. If breathing has stopped, perform artificial respiration. Use first aid treatment
according to the nature of the injury. Ensure that medical personnel are aware of the material(s) involved
and take precautions to protect themselves.


SECTION 5. FIREFIGHTING MEASURES

Suitable extinguishing media: Dry chemical, CO2 or water spray. Consult with local fire authorities before attempting large scale fire
fighting operations.
Specific hazards arising from the chemical
Hazardous combustion products: These products include: Carbon oxides Halogenated compounds Metallic oxides
Other specific hazards: WARNING: Highly toxic HCl gas is produced during combustion.
Special precautions for fire-fighters:
Use water spray or fog; do not use straight streams. Dike fire-control water for later disposal; do not scatter the material. Containers may explode when
heated. Move containers from fire area if you can do it without risk.
Special protective equipment for fire-fighters:
Wear positive pressure self-contained breathing apparatus (SCBA). Structural fire fighters' protective clothing provides limited protection in fire situations
ONLY; it may not be effective in spill situations. Wear chemical protective clothing which is specifically recommended by the manufacturer. It may
provide little or no thermal protection.


SECTION 6. ACCIDENTAL RELEASE MEASURES

Personal precautions: Avoid contact with skin, eyes, and clothing. Keep people away from and upwind of spill/leak. Do not touch
damaged containers or spilled material unless wearing appropriate protective clothing (Section 8). Warn
unnecessary personnel to move away. Stop leak if you can do it without risk. Ensure adequate ventilation.
Isolate the hazard area and deny entry to unnecessary and unprotected personnel.
Personal protective equipment: Wear eye protection (splash goggles) and face protection (full length face shield). Lab coat. Dust
respirator. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Wear protective gloves
(nitrile).
Emergency procedures: Prevent dust cloud. In case of a spill and/or a leak, always shut off any sources of ignition, ventilate the
area, and excercise caution. Do not touch damaged containers or spilled material unless wearing
appropriate protective clothing. Warn personnel to move away. Prevent entry into sewers, basements or
confined areas; dike if needed.
Methods and materials for containment and cleaning up:
ELIMINATE all ignition sources (no smoking, flares, sparks, or flames in immediate area). Stop leak if without risk. Absorb with an inert material and put
the spilled material in an appropriate waste disposal container. Use clean non-sparking tools to collect absorbed material. Ventilate the area.
Environmental precautions:
Keep away from living quarters. Prevent further leakage or spillage if safe to do so. Water runoff can cause environmental damage. Prevent entry into
sewers, basements or confined areas; dike if needed.


SECTION 7. HANDLING AND STORAGE

Precautions for safe handling: Avoid inhalation of vapor or mist. Manipulate under an adequate fume hood. Do not ingest. Avoid contact
with skin and eyes. Avoid contact with skin. May corrode metallic surfaces. Good general ventilation
should be sufficient to control airborne levels. Keep container dry. Handle and open container with care.
Wear suitable protective clothing, gloves and eye/face protection. When using do not eat, drink, or smoke.
Keep away from sources of ignition.
Conditions for safe storage: Store in corrosive resistant container with a resistant inner liner. Keep containers tightly closed in a cool,
well-ventilated place. Store locked up. Keep away from incompatibles. Containers which are opened must
be carefully resealed and kept upright to prevent leakage. Avoid prolonged storage periods. Store under
inert gas (e.g. Argon). Moisture sensitive.
Storage incompatibilities: Bases, Store away from oxidizing agents


SECTION 8. EXPOSURE CONTROLS/PERSONAL PROTECTION

Exposure limits: No data available
Appropriate engineering controls:
Good general ventilation should be sufficient to control airborne levels. Ventilation is normally required when handling or using this product. Eyewash
fountains should be provided in areas where there is any possibility that workers could be exposed to the substance. Follow safe industrial
engineering/laboratory practices when handling any chemical.
Personal protective equipment
Respiratory protection: Dust respirator. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
Hand protection: Nitrile gloves.
Eye protection: Safety glasses.
Skin and body protection: Lab coat.


SECTION 9. PHYSICAL AND CHEMICAL PROPERTIES

Physical state (20°C): Solid
Form: Crystal - Powder
Color: Slightly pale yellow - Yellow
Odor: No data available
Odor threshold: No data available

Melting point/freezing point: No data available
Boiling point/range: No data available
Decomposition temperature: No data available
Relative density: No data available
Kinematic Viscosity: No data available
Partition coefficient: No data available
n-octanol/water (log Pow)
Flash point: No data available
Flammability (solid, gas): No data available

pH: No data available
Vapor pressure: No data available
Vapor density: No data available
Dynamic Viscosity: No data available
Evaporation rate: No data available
(Butyl Acetate = 1)
Autoignition temperature: No data available
Flammability or explosive limits: No data available
Lower: No data available
Upper: No data available

Solubility(ies):
Soluble: Pyridine


SECTION 10. STABILITY AND REACTIVITY

Reactivity: Corrodes in contact with metals.
Chemical Stability: Moisture sensitive.
Possibility of Hazardous Reactions: No hazardous reactivity has been reported.
Conditions to avoid: Exposure to moisture. Moisture sensitive.
Incompatible materials: Oxidizing agents
Hazardous Decomposition Products: No data available


SECTION 11. TOXICOLOGICAL INFORMATION

Acute Toxicity:
No data available
Skin corrosion/irritation:
No data available
Serious eye damage/irritation:
No data available
Respiratory or skin sensitization:
No data available
Germ cell mutagenicity:
No data available
Carcinogenicity:
No data available
IARC: No data available
NTP: No data available
OSHA: No data available
Reproductive toxicity:
No data available
Routes of Exposure: Inhalation, Eye contact, Ingestion, Skin contact.
Symptoms related to exposure:
Overexposure may result in serious illness or death. Skin contact may produce burrns. Skin contact may result in inflammation; characterized by itching,
scaling, reddening, or occasionally blistering. Eye contact can result in corneal damage or blindness.
Potential Health Effects:
No specific information available; skin and eye contact may result in irriatation. May be harmful if inhaled or ingested.
Target organ(s): No data available


SECTION 12. ECOLOGICAL INFORMATION

Ecotoxicity
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence and degradability: No data available
Bioaccumulative potential (BCF): No data available
Mobillity in soil: No data available
Partition coefficient:
n-octanol/water (log Pow)
No data available
Soil adsorption (Koc): No data available
Henry's Law:
constant (PaM3/mol)
No data available


SECTION 13. DISPOSAL CONSIDERATIONS

Disposal of product: Recycle to process if possible. It is the generator's responsibility to comply with Federal, State and Local
rules and regulations. You may be able to dissolve or mix material with a combustible solvent and burn in a
chemical incinerator equipped with an afterburner and scrubber system. This section is intended to provide
assistance but does not replace these laws, nor does compliance in accordance with this section ensure
regulatory compliance according to the law. US EPA guidelines for Identification and Listing of Hazardous
Waste are listed in 40 CFR Parts 261. The product should not be allowed to enter the environment, drains,
water ways, or the soil.
Disposal of container: Dispose of as unused product. Do not re-use empty containers.
Other considerations: Observe all federal, state and local regulations when disposing of the substance.


SECTION 14. TRANSPORT INFORMATION

DOT (US)
UN number:
UN1759
Proper Shipping Name:
Corrosive solids, n.o.s.
Class or Division:
8 Corrosive material
Packing Group:
III
IATA
UN number:
UN1759
Proper Shipping Name:
Corrosive solids, n.o.s.
Class or Division:
8 Corrosive material
Packing Group:
III
IMDG
UN number:
UN1759
Proper Shipping Name:
Corrosive solids, n.o.s.
Class or Division:
8 Corrosive material
Packing Group:
III
EmS number: F-A, S-B


SECTION 15. REGULATORY INFORMATION

Toxic Substance Control Act (TSCA 8b.):
This product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those
products not on the inventory list:
(i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in
40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on a SDS sheet.
US Federal Regulations
CERCLA Hazardous substance and Reportable Quantity:
SARA 313: Not Listed
SARA 302: Not Listed
State Regulations
State Right-to-Know
Massachusetts Not Listed
New Jersey Not Listed
Pennsylvania Not Listed
California Proposition 65: Not Listed
Other Information
NFPA Rating:
Health: 2
Flammability: 0
Instability: 0
HMIS Classification:
Health: 2
Flammability: 0
Physical: 0
International Inventories
WHMIS hazard class: E: Corrosive material.
D2A: Materials causing other toxic effects. (Very Toxic)


SECTION 16. OTHER INFORMATION

Safety Data Sheet according to Regulation (EC) No. 1907/2006 (REACH). The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. American Elements shall not be held liable for any damage resulting from handling or from contact with the above product. See reverse side of invoice or packing slip for additional terms and conditions of sale. COPYRIGHT 1997-2018 AMERICAN ELEMENTS. LICENSED GRANTED TO MAKE UNLIMITED PAPER COPIES FOR INTERNAL USE ONLY.

About Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride

Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride is one of numerous organo-metallic compounds sold by American Elements under the trade name AE Organo-Metallics™ for uses requiring non-aqueous solubility such as recent solar energy and water treatment applications. Similar results can sometimes also be achieved with Nanoparticles and by thin film deposition. Note American Elements additionally supplies many materials as solutions. Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride is generally immediately available in most volumes. High purity, submicron and nanopowder forms may be considered. Additional technical, research and safety information is available.

Bis(pentamethylcyclopentadienyl)zirconium(IV) Dichloride Synonyms

Decamethylzirconocene dichloride; zirconium, dichlorobis(1, 2, 3, 4, 5-pentamethyl-2, 4-cyclopentadien-1-yl)-

Chemical Identifiers

Linear Formula C20H30Cl2Zr
MDL Number MFCD00058849
EC No. N/A
Pubchem CID 16058028
IUPAC Name dichlorozirconium(2+); 1,2,3,4,5-pentamethylcyclopenta-1,3iene
SMILES C[C-]1C(=C(C(=C1C)C)C)C.C[C-]1C(=C(C(=C1C)C)C)C.Cl[Zr+2]Cl
InchI Identifier InChI=1S/2C10H15.2ClH.Zr/c2*1-6-7(2)9(4)10(5)8(6)3;;;/h2*1-5H3;2*1H;/q2*-1;;;+4/p-2
InchI Key UJYDWRDELGVHLP-UHFFFAOYSA-L

Packaging Specifications

Typical bulk packaging includes palletized plastic 5 gallon/25 kg. pails, fiber and steel drums to 1 ton super sacks in full container (FCL) or truck load (T/L) quantities. Research and sample quantities and hygroscopic, oxidizing or other air sensitive materials may be packaged under argon or vacuum. Shipping documentation includes a Certificate of Analysis and Safety Data Sheet (SDS). Solutions are packaged in polypropylene, plastic or glass jars up to palletized 440 gallon liquid totes, and 36,000 lb. tanker trucks.

Related Elements

See more Zirconium products. Zirconium (atomic symbol: Zr, atomic number: 40) is a Block D, Group 4, Period 5 element with an atomic weight of 91.224. Zirconium Bohr ModelThe number of electrons in each of Zirconium's shells is 2, 8, 18, 10, 2 and its electron configuration is [Kr] 4d2 5s2. The zirconium atom has a radius of 160 pm and a Van der Waals radius of 186 pm. Zirconium was discovered by Martin Heinrich Klaproth in 1789 and first isolated by Jöns Jakob Berzelius in 1824. In its elemental form, zirconium has a silvery white appearance that is similar to titanium. Zirconium's principal mineral is zircon (zirconium silicate). Elemental ZirconiumZirconium is commercially produced as a byproduct of titanium and tin mining and has many applications as a opacifier and a refractory material. It is not found in nature as a free element. The name of zirconium comes from the mineral zircon, the most important source of zirconium, and from the Persian wordzargun, meaning gold-like.

Chlorine is a Block P, Group 17, Period 3 element. Its electron configuration is [Ne]3s23p5. The chlorine atom has a covalent radius of 102±4 pm and its Van der Waals radius is 175 pm. In its elemental form, chlorine is a yellow-green gas. Chlorine is the second lightest halogen after fluorine. it has the third highest electronegativity and the highest electron affinity of all the elements making it a strong oxidizing agent. It is rarely found by itself in nature. Chlorine was discovered and first isolated by Carl Wilhelm Scheele in 1774. It was first recognized as an element by Humphry Davy in 1808.

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