trichlorochromium hydrate

• ChemBase ID: 146497
• Molecular Formular: Cl3CrH2O
• Molecular Mass: 176.37038
• Monoisotopic Mass: 174.85763022
• SMILES: O.Cl[Cr](Cl)Cl
• Canonical SMILES: Cl[Cr](Cl)Cl.O
• InChI: InChI=1S/3ClH.Cr.H2O/h3*1H;;1H2/q;;;+3;/p-3
• InChIKey: KAVBMPSEABAPIE-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichlorochromium hydrate
• IUPAC Traditional name: chromium chloride hydrate
• Synonyms: Chromium(III) chloride hydrate; 氯化铬(III) 水合物

Database IDs

• CAS Number: 85017-78-3
• EC Number: 233-038-3
• MDL Number: MFCD00799076
• PubChem SID: 24853288; 162240692
• PubChem CID: 16211596

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.1535
• LogD (pH = 7.4): 1.1535
• Log P: 1.1535
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 10.00786 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Melting Point: 83 °C(lit.)
• Density: 1.76 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99.995%
• Linear Formula: [Cr(H2O)4Cl2]Cl·xH2O

DETAILS

Sigma Aldrich - 229571

Packaging
25, 100 g in poly bottle