CAS No.12082-08-5,BENZENE CHROMIUM TRICARBONYL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	12082-08-5
Name:	BENZENE CHROMIUM TRICARBONYL
Article Data:	99

Formula:	C₉H₆CrO₃
Molecular Weight:	214.141
Synonyms:	Benzenechromiumtricarbonyl (6CI);Chromium, (benzene)tricarbonyl- (7CI,8CI);(Benzene)tricarbonylchromium;Benchrotrene;Benzenechromotricarbonyl;Benzenetricarbonyl chromium(0);Tricarbonylbenzene chromium;H6-Benzenechromium tricarbonyl;H6-Benzenetricarbonylchromium;p-Benzenechromium tricarbonyl;p-Benzenetricarbonylchromium;
EINECS:	235-146-6
Density:	6.68 g/cm3
Melting Point:	161.5-163 °C
Boiling Point:	78.8 °C at 760 mmHg
Solubility:	insoluble in water, soluble in organic solvents
Appearance:	yellow crystal
Hazard Symbols:	Xn
Risk Codes:	20/21/22
Safety:	36/37
PSA:	0.00000
LogP:	0.60180

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Specification

The Chromium, (H6-benzene)tricarbonyl- with CAS registry number of 12082-08-5 is also known as Benzenechromiumtricarbonyl. The systematic name is Chromium, (benzene)tricarbonyl-. This chemical is a yellow crystal and its EINECS registry number is 235-146-6. In addition, the formula is C₉H₆CrO₃ and the molecular weight is 214.13. This chemical can be used in organic synthesis.

Physical properties about Chromium, (H6-benzene)tricarbonyl- are: (1)ACD/LogP: 2.22; (2)Enthalpy of Vaporization: 30.72 kJ/mol; (3)Boiling Point: 78.8 °C at 760 mmHg; (4)Vapour Pressure: 101 mmHg at 25 °C.

Preparation of Chromium, (H6-benzene)tricarbonyl-: it is prepared by reaction of benzene with chromium hexacarbonyl. The reaction needs reagent 2-methyl pyridine with anaerobic environment. What's more, it needs reflux for 96 hours and the yield is about 91%.

C₆H₆+Cr(CO)₆→C₉H₆CrO₃+3CO

When you are using this chemical, please be cautious about it. This chemical is harmful by inhalation, in contact with skin and if swallowed. During using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
1. SMILES: [Cr+6].[C-]#[O+].[O+]#[C-].[O+]#[C-].c1ccccc1
2. InChI: InChI=1/C6H6.3CO.Cr/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;/q;;;;+6
3. InChIKey: OWQVYADSJVILAH-UHFFFAOYAF
4. Std. InChI: InChI=1S/C6H6.3CO.Cr/c1-2-4-6-5-3-1;3*1-2;/h1-6H;;;;/q;;;;+6
5. Std. InChIKey: OWQVYADSJVILAH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	10mg/kg (10mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04751,