chlorodiethylalumane; dichloro(ethyl)alumane

• ChemBase ID: 136847
• Molecular Formular: C6H15Al2Cl3
• Molecular Mass: 247.505376
• Monoisotopic Mass: 245.98701078
• SMILES: CC[Al](CC)Cl.CC[Al](Cl)Cl
• Canonical SMILES: CC[Al](CC)Cl.CC[Al](Cl)Cl
• InChI: InChI=1S/3C2H5.2Al.3ClH/c3*1-2;;;;;/h3*1H2,2H3;;;3*1H/q;;;+1;+2;;;/p-3
• InChIKey: LDXMUMPEDOQULK-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: chlorodiethylalumane; dichloro(ethyl)alumane
• IUPAC Traditional name: diethylaluminium chloride; ethylaluminium dichloride
• Synonyms: Ethylaluminum sesquichloride solution; Ethylaluminum sesquichloride; 三氯三乙基络铝 溶液; 三氯三乙基络铝

Database IDs

• CAS Number: 12075-68-2
• EC Number: 235-137-7
• MDL Number: MFCD00044852
• Beilstein Number: 4027369
• PubChem SID: 24855562; 162231115
• PubChem CID: 25508

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.1513
• LogD (pH = 7.4): 3.1513
• Log P: 3.1513
• Molar Refractivity: 27.1381 cm^3
• Polarizability: 12.411272 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -50 °C(lit.)
• Boiling Point: 204 °C(lit.)
• Flash Point: -.4 °F; -1 °F; -18 °C
• Density: 1.092 g/mL at 25 °C(lit.)

Safety Information

• RTECS: BD1950000
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3394
• German water hazard class: 1
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 14/15-17-34; 14-17-23/24/25-34
• Safety Statements: 16-26-27-36/37/39-45; 16-26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H261-H314
• GHS Precautionary statements: P210-P222-P231 + P232-P280-P305 + P351 + P338-P422
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3394 4.2/PG 1

Product Information

• Purity: 97%
• Concentration: 25 wt. % in toluene
• Linear Formula: (C2H5)2AlCl·Cl2AlC2H5; (C2H5)3Al2Cl3

DETAILS

Sigma Aldrich - 256951

Packaging
Packaged under nitrogen in Sure/Pac™ metal cylinders

Sigma Aldrich - 256943

Packaging
1 kg in Sure-Pac™
100 g in Sure-Pac™
Recommended products
Angled septum-inlet adapter Z118206 or straight septum-inlet adapter, 6mm I.D. inlet, Z118141 or straight septum-inlet adapter, 13mm I.D. inlet, Z118192 is recommended.