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