tribromochromium hexahydrate

• ChemBase ID: 151016
• Molecular Formular: Br3CrH12O6
• Molecular Mass: 399.79978
• Monoisotopic Mass: 396.7589066
• SMILES: O.O.O.O.O.O.[Cr](Br)(Br)Br
• Canonical SMILES: Br[Cr](Br)Br.O.O.O.O.O.O
• InChI: InChI=1S/3BrH.Cr.6H2O/h3*1H;;6*1H2/q;;;+3;;;;;;/p-3
• InChIKey: XIOAYKRRSJTLOZ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tribromochromium hexahydrate
• IUPAC Traditional name: tribromochromium hexahydrate
• Synonyms: Chromium(III) bromide hexahydrate; 溴化铬(III) 六水合物

Database IDs

• CAS Number: 13478-06-3
• EC Number: 233-088-6
• MDL Number: MFCD00150214
• PubChem SID: 162245175; 24871880
• PubChem CID: 71311496

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0553
• LogD (pH = 7.4): 2.0553
• Log P: 2.0553
• Molar Refractivity: 26.2056 cm^3
• Polarizability: 13.662911 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 79 °C(lit.)
• Density: 5.4 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Highly toxic (T+)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 63-21/22-26-34-43
• Safety Statements: 22-26-36/37/39-45
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H312-H314-H317-H330-H361
• GHS Precautionary statements: P260-P280-P284-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3260 8/PG 3

Product Information

• Purity: 99%
• Linear Formula: CrBr3 · 6H2O

DETAILS

Sigma Aldrich - 483281

Packaging
25 g in poly bottle