dichloro(methyl)alumane

• ChemBase ID: 149963
• Molecular Formular: CH3AlCl2
• Molecular Mass: 112.922058
• Monoisotopic Mass: 111.94271909
• SMILES: C[Al](Cl)Cl
• Canonical SMILES: C[Al](Cl)Cl
• InChI: InChI=1S/CH3.Al.2ClH/h1H3;;2*1H/q;+2;;/p-2
• InChIKey: YSTQWZZQKCCBAY-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(methyl)alumane
• IUPAC Traditional name: dichloro(methyl)alumane
• Synonyms: Methylaluminum dichloride solution; 甲基二氯化铝 溶液

Database IDs

• CAS Number: 917-65-7
• MDL Number: MFCD00000456
• PubChem SID: 162244125; 24857878
• PubChem CID: 101908

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.5457
• LogD (pH = 7.4): 1.5457
• Log P: 1.5457
• Molar Refractivity: 18.2183 cm^3
• Polarizability: 8.871414 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -23 °C; -9.4 °F
• Density: 0.729 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 3399
• German water hazard class: 2
• Hazard Class: 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-34-48/20-51/53-62-65-67
• Safety Statements: 26-36/37/39-43-45-61-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H260-H304-H314-H336-H361f-H373-H411
• GHS Precautionary statements: P210-P223-P231 + P232-P261-P370 + P378-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3399 4.3/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Concentration: 1.0 M in hexanes
• Linear Formula: CH3AlCl2

DETAILS

Sigma Aldrich - 296805

Other Notes
Storage below 20°C may cause crystallization.
Packaging
100 mL in Sure/Seal™