trichloroalumane hydrate

• ChemBase ID: 147510
• Molecular Formular: AlCl3H2O
• Molecular Mass: 151.355818
• Monoisotopic Mass: 149.89866135
• SMILES: O.[Al](Cl)(Cl)Cl
• Canonical SMILES: Cl[Al](Cl)Cl.O
• InChI: InChI=1S/Al.3ClH.H2O/h;3*1H;1H2/q+3;;;;/p-3
• InChIKey: CAYKLJBSARHIDI-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloroalumane hydrate
• IUPAC Traditional name: aluminium chloride hydrate
• Synonyms: Aluminum chloride hydrate; 氯化铝 水合物

Database IDs

• CAS Number: 10124-27-3
• EC Number: 231-208-1
• MDL Number: MFCD00149135
• PubChem SID: 24853272; 162241698
• PubChem CID: 16211594

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.6535
• LogD (pH = 7.4): 1.6535
• Log P: 1.6535
• Molar Refractivity: 18.4089 cm^3
• Polarizability: 9.073612 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: 100 °C (dec.)(lit.)
• Density: 2.398 g/mL at 25 °C(lit.)
• Vapor Pressure: 1 mmHg ( 100 °C)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 7/8-28-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 3260 8/PG 3

Product Information

• Purity: 99.999% trace metals basis
• Compostion: Degree of hydration, 6-7
• Linear Formula: AlCl3·xH2O

DETAILS

Sigma Aldrich - 229393

Packaging
25, 100 g in poly bottle