chlorodiethylalumane

• ChemBase ID: 127009
• Molecular Formular: C4H10AlCl
• Molecular Mass: 120.556738
• Monoisotopic Mass: 120.02864163
• SMILES: CC[Al](Cl)CC
• Canonical SMILES: CC[Al](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: chlorodiethylalumane
• IUPAC Traditional name: diethylaluminium chloride
• Synonyms: Chlorodiethylaluminium; Diethylaluminium chloride; Diethylaluminum chloride solution; Chloro diethyl aluminum; Diethylaluminum chloride; 氯化二乙基铝 溶液; 二乙基氯化铝; 氯化二乙基铝

Database IDs

• CAS Number: 96-10-6
• EC Number: 202-477-2
• MDL Number: MFCD00000459
• Beilstein Number: 4123259
• PubChem SID: 24862283; 162221332; 24855548; 24851562; 24852743
• PubChem CID: 7277
• Chemspider ID: 10413126
• Wikipedia Title: Diethylaluminium_chloride

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: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -50 °C(lit.); -50°C
• Boiling Point: 125 - 126°C (at 50 mmHg); 125-126 °C/50 mmHg(lit.)
• Flash Point: -.4 °F; 1 °F; -17 °C; -18 °C; -22 °C; -7.6 °F
• Density: 0.7 g/mL at 20 °C; 0.711 g/mL at 25 °C; 0.72 g/mL at 25 °C; 0.887 g/mL at 25 °C; 0.961 g cm^-1; 0.961 g/mL at 25 °C(lit.)
• Vapor Pressure: 3 mmHg ( 60 °C); 3 mmHg (at 60 °C)

Safety Information

• RTECS: BD0558000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 3394
• German water hazard class: -; 1; 3
• Hazard Class: 4.2
• Packing Group: 1
• Risk Statements: 11-14/15-17-34-48/20-51/53-62-65-67; 14/15-17-34; 14-17-34; 63-11-14/15-17-34-48/20-65-67; R14/15, R17, R34
• Safety Statements: 16-26-36/37/39-43-45-62; 26-36/37/39-43-45; 26-36/37/39-43-45-61-62; 36/37/39-45; S26, S36/37/39, S43, S45
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• NFPA704:
  

  4

  3

  2

  W
• GHS Hazard statements: H225-H250-H260-H304-H314-H336-H361d-H373; H225-H250-H260-H304-H314-H336-H361f-H373-H411; H225-H250-H261-H314
• GHS Precautionary statements: P210-P222-P223-P231 + P232-P370 + P378-P422; 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: ~1 M in hexane; 1.0 M in heptane; 1.0 M in hexanes; 25 wt. % in toluene
• Grade: purum
• Linear Formula: (C2H5)2AlCl

DETAILS

Sigma Aldrich - 361968

Packaging
100 mL in Sure/Seal™

Sigma Aldrich - 192732

Packaging
100 g in Sure-Pac™
100, 800 g in Sure/Seal™

Sigma Aldrich - 256714

Packaging
1 kg in Sure-Pac™
100 g in Sure-Pac™
Application
Lewis-acid catalyst in Diels-Alder reactions1 and reactant in the synthesis of aluminum-phosphorus compounds.2,3
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.

Sigma Aldrich - 256730

Packaging
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.

Sigma Aldrich - 256722

Packaging
1.8 L in Sure-Pac™
200 mL 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.

Sigma Aldrich - 212806

Packaging
200 mL in Sure-Pac™
4×25, 100 mL in Sure/Seal™
800 mL in Sure/Seal™

Sigma Aldrich - 36787

Application
Versatile Lewis acid catalyst;