diethylalumanylium chloride

• ChemBase ID: 303894
• Molecular Formular: C4H11AlCl
• Molecular Mass: 121.564678
• Monoisotopic Mass: 121.03646666
• SMILES: CC[AlH+]CC.[Cl-]
• Canonical SMILES: CC[AlH+]CC.[Cl-]
• InChI: InChI=1S/2C2H5.Al.ClH/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1
• InChIKey: YNLAOSYQHBDIKW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: diethylalumanylium chloride
• IUPAC Traditional name: diethylalumanylium chloride
• Synonyms: Diethylaluminum chloride; 二乙基氯化铝

Database IDs

• CAS Number: 96-10-6
• MDL Number: MFCD00000459

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.406
• LogD (pH = 7.4): 2.406
• Log P: 2.406
• Molar Refractivity: 20.6938 cm^3
• Polarizability: 10.241592 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Liquid
• Flash Point: -18°C(-1°F)

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: BD0558000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: UN3394
• Hazard Class: 4.2
• Packing Group: I
• Risk Statements: 14/15-17-34-50/53-67
• Safety Statements: 16-26-36/37/39-43-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS09
• GHS Hazard statements: H224-H250-H260-H252-H314-H318-H400-H410-H336
• GHS Precautionary statements: P210-P303+P361+P353-P305+P351+P338-P405-P422A-P501A

Product Information

• Purity: 96%, 25% w/w in heptane