dichloro(ethyl)alumane

• ChemBase ID: 136956
• Molecular Formular: C2H5AlCl2
• Molecular Mass: 126.948638
• Monoisotopic Mass: 125.95836915
• SMILES: CC[Al](Cl)Cl
• Canonical SMILES: CC[Al](Cl)Cl
• InChI: InChI=1S/C2H5.Al.2ClH/c1-2;;;/h1H2,2H3;;2*1H/q;+2;;/p-2
• InChIKey: UAIZDWNSWGTKFZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloro(ethyl)alumane
• IUPAC Traditional name: ethylaluminium dichloride
• Synonyms: Ethylaluminum dichloride solution; Ethylaluminum dichloride; 二氯乙基铝 溶液; 二氯乙基铝

Database IDs

• CAS Number: 563-43-9
• EC Number: 209-248-6
• MDL Number: MFCD00000457
• Beilstein Number: 4123357
• PubChem SID: 162231223; 24855143; 24855561; 24851563
• PubChem CID: 11237

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.9528
• LogD (pH = 7.4): 1.9528
• Log P: 1.9528
• Molar Refractivity: 22.8839 cm^3
• Polarizability: 10.671211 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 32 °C(lit.)
• Boiling Point: 115 °C/50 mmHg(lit.); 68-70 °C
• Flash Point: -.4 °F; -18 °C; -23 °C; 39.2 °F; 4 °C; -9 °F; -9.4 °F
• Density: 0.729 g/mL at 25 °C; 0.74 g/mL at 20 °C; 0.927 g/mL at 25 °C; 1.207 g/mL at 25 °C(lit.)
• Vapor Pressure: 5 mmHg ( 60 °C)

Safety Information

• RTECS: BD0705000
• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 3393; 3394; 3399
• German water hazard class: 1; 3
• Hazard Class: 4.2; 4.3
• Packing Group: 1
• Risk Statements: 11-14/15-34-48/20-51/53-62-65-67; 14/15-17-34; 63-11-14/15-17-34-48/20-65-67
• Safety Statements: 16-26-27-36/37/39-45; 16-26-36/37/39-43.11-45-61-62; 16-26-36/37/39-43-45-62; 26-36/37/39-43-45-61-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H261-H304-H314-H336-H361d-H373; H225-H250-H261-H304-H314-H336-H361-H373-H411; H225-H250-H261-H314
• GHS Precautionary statements: P210-P222-P231 + P232-P261-P273-P422; P210-P222-P231 + P232-P261-P280-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 3393 4.2/PG 1; UN 3394 4.2/PG 1; UN 3399 4.3/PG 1
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Concentration: ~1 M in hexane; 1.0 M in hexanes; 25 wt. % in toluene
• Grade: purum
• Linear Formula: C2H5AlCl2; CH3CH2AlCl2

DETAILS

Sigma Aldrich - 192759

Packaging
100, 800 g in Sure/Seal™

Sigma Aldrich - 251615

Packaging
100, 800 mL in Sure/Seal™

Sigma Aldrich - 256927

Packaging
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 - 256919

Other Notes
Storage below 30°C may cause crystallization. Moving container to a warm location should melt the solid. The warm liquid may be transferred using syringe techniques.
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 - 46075

Other Notes
Versatile, selective Lewis acid with properties as a "proton sponge" used as catalyst in Diels-Alder, ene reactions, etc.; 1