trichloroalumane hexahydrate

• ChemBase ID: 105257
• Molecular Formular: AlCl3H12O6
• Molecular Mass: 241.432218
• Monoisotopic Mass: 239.95148477
• SMILES: O.O.O.O.O.O.Cl[Al](Cl)Cl
• Canonical SMILES: Cl[Al](Cl)Cl.O.O.O.O.O.O
• InChI: InChI=1S/Al.3ClH.6H2O/h;3*1H;6*1H2/q+3;;;;;;;;;/p-3
• InChIKey: JGDITNMASUZKPW-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloroalumane hexahydrate
• IUPAC Traditional name: aluminium chloride hexahydrate
• Synonyms: Aluminii chloridum hexahydricum; Aluminum trichloride; ALUMINUM CHLORIDE HEXAHYDRATE; Aluminum chloride hexahydrate; Aluminum chloride; Aluminum chloride hexahydrate; 六水合三氯化铝; 三氯化铝 六水合物; 三氯化铝; 三氯化铝 六水合物

Database IDs

• CAS Number: 7784-13-6
• EC Number: 231-208-1
• MDL Number: MFCD00149134
• PubChem SID: 24854214; 162092002; 24846865; 24845808
• PubChem CID: 24564

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

• Melting Point: > 285°C
• Density: 2.4 g/ml
• Vapor Pressure: 1 hPa (at 20 C); 1 mmHg ( 100 °C)
• pH: 2.5-3.5 (20 °C, 5%); 2.5-3.5 (25 °C, 50 mg/mL in H2O)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: BD0530000
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3260
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3; III
• Australian Hazchem: 4W
• Risk Statements: 36/37/38-52; R:34
• Safety Statements: 26; S:7/8-28-45
• EU Classification: C10
• EU Hazard Identification Number: 8B
• Emergency Response Guidebook(ERG) Number: 154
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves; Eyeshields, Faceshields, 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 3260 8/PG 3

Product Information

• Purity: ≥97.0%; ≥98%; ≥98.0%; ≥99.0% (AT); 97.0-101.0%; 99%
• Grade: JIS special grade; Ph Eur; puriss.; purum p.a.; ReagentPlus®; SAJ first grade
• Suitability: in accordance for appearance of solution; meets EP, BP, USP testing specifications
• Impurities: ≤0.001% heavy metals (as Pb); ≤0.01% ammonium (NH4); ≤0.5% alkali+alkaline earth metals; 42.0-48.0% water (Karl Fischer); residual solvents, complies
• Cation Traces: As: ≤4 mg/kg; Ca: ≤100 mg/kg; Ca: ≤200 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤10 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Mg: ≤100 mg/kg; Na: ≤1000 mg/kg; Na: ≤500 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg; sulfate (SO42-): in accordance (USP)
• Quality: crystallized; meets analytical specification of Ph. Eur., BP, USP
• Pharmacopeia: testing & handling conforms to Pharmacopeia
• Empirical Formula (Hill Notation): AlCl3 · 6H2O

DETAILS

MP Biomedicals - 02159552

Hexahydrate
Often used in aqueous solution with NaF to induce a number of biological effects from generation of the (AlF₄ ^- ) moiety.

Sigma Aldrich - 237078

Packaging
100, 500 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC