bis(benzene) chromium

• ChemBase ID: 150238
• Molecular Formular: C12H12Cr
• Molecular Mass: 208.21978
• Monoisotopic Mass: 208.03440788
• SMILES: c1ccccc1.c1ccccc1.[Cr]
• Canonical SMILES: c1ccccc1.c1ccccc1.[Cr]
• InChI: InChI=1S/2C6H6.Cr/c2*1-2-4-6-5-3-1;/h2*1-6H
• InChIKey: HVURSIGIEONDKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(benzene) chromium
• IUPAC Traditional name: bis(benzene) chromium
• Synonyms: Chromium dibenzene; Dibenzenechromium; Dibenzenechromium; Bis(benzene)chromium(0); 二苯铬; 双(苯)铬(0)

Database IDs

• CAS Number: 1271-54-1
• EC Number: 215-042-7
• MDL Number: MFCD00015485
• PubChem SID: 24872850; 162244399
• PubChem CID: 10932683

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9732459
• LogD (pH = 7.4): 1.9732459
• Log P: 1.9732459
• Molar Refractivity: 26.058 cm^3
• Polarizability: 10.40423 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Crystalline
• Melting Point: 260-265 °C(lit.); 260-265°C

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: GB5850000
• European Hazard Symbols: Flammable (F)
• UN Number: 1325; UN3391
• German water hazard class: 3
• Hazard Class: 4.1; 4.2
• Packing Group: 2; I
• Risk Statements: 11; 14-17
• Safety Statements: 16-33; 7/8-43
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H228; H250-H252
• GHS Precautionary statements: P210; P210-P222-P280-P370+P378A-P422A-P420
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 97%; C 69.2%, H 5.8%
• Empirical Formula (Hill Notation): C12H12Cr

DETAILS

Sigma Aldrich - 493651

Packaging
1, 5 g in glass bottle
Application
Catalyst for:
• Olefin hydrogenation1
• Electron transfer chain catalysis mechanism2
• Pre-catalyst for the hydrosilation of ketones and aldehydes, for the dehydrocoupling of triphenylsilane with primary alcohols3