acetyl chloride

• ChemBase ID: 125602
• Molecular Formular: C2H3ClO
• Molecular Mass: 78.49762
• Monoisotopic Mass: 77.9872424
• SMILES: ClC(=O)C
• Canonical SMILES: CC(=O)Cl
• InChI: InChI=1S/C2H3ClO/c1-2(3)4/h1H3
• InChIKey: WETWJCDKMRHUPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: acetyl chloride
• IUPAC Systematic name: Ethanoyl chloride
• IUPAC Traditional name: acetyl chloride
• Synonyms: Acetyl chloride; Acetyl chloride solution; Ethanoyl chloride; Acetic chloride; Acetyl chloride; 乙酰氯 溶液; 氯乙酰; 乙酰氯

Database IDs

• CAS Number: 75-36-5
• EC Number: 200-865-6
• MDL Number: MFCD00000719
• Beilstein Number: 605303
• Merck Index: 1485
• PubChem SID: 24845125; 24854381; 24859250; 162219952; 24847160
• PubChem CID: 6367
• CHEBI ID: 37580
• Chemspider ID: 6127
• Unique Ingredient Identifier: QD15RNO45K
• Wikipedia Title: Acetyl_chloride

CALCULATED PROPERTIES

• Acid pKa: 19.32698
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.30998394
• LogD (pH = 7.4): 0.30998394
• Log P: 0.30998394
• Molar Refractivity: 16.5022 cm^3
• Polarizability: 6.4507504 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Reacts in water
• Apperance: colorless liquid; Liquid
• Melting Point: -112 °C(lit.); -112°C; -112°C
• Boiling Point: 50-52°C; 52 °C(lit.); 52°C
• Flash Point: 39.2 °F; 4 °C; 4°C(39°F); 41 °F; 5 °C; 5°C (41°F)
• Auto Ignition Point: 1353 °F; 390 °C
• Density: 1.104; 1.104 g/mL at 25 °C(lit.); 1.104 g/ml, liquid; 1.105 g/mL at 20 °C; 1.294 g/mL at 25 °C
• Refractive Index: 1.3890; n20/D 1.389; n20/D 1.389(lit.); n20/D 1.423
• Vapor Pressure: 11.69 psi ( 20 °C); 32.33 psi ( 55 °C)
• Vapor Density: 2.7 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: AO6390000
• European Hazard Symbols: Corrosive (C); Corrosive (C); Flammable (F); Flammable (F); Harmful (Xn)
• UN Number: 1717; 3286; UN1717
• German water hazard class: 1; 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-14-34; 11-14-36/38-40; R11 R14 R34
• Safety Statements: 16-26-36/37; 9-16-26-45; S1/2 S9 S16 S26 S45
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• Explode Limits: 19 %; 7.3–19%
• GHS Hazard statements: H225-H314; H225-H314-H318-H302; H225-H314-H351
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US); Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1717 3/PG 2; UN 3286 3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥98.0% (T); ≥99%; ≥99.0% (T); 98%; 99+%
• Concentration: 1 M in methylene chloride
• Grade: puriss. p.a.; purum; reagent grade; ReagentPlus®
• Cation Traces: Al: ≤0.5 mg/kg; Ba: ≤0.1 mg/kg; Bi: ≤0.1 mg/kg; Ca: ≤0.5 mg/kg; Cd: ≤0.05 mg/kg; Co: ≤0.02 mg/kg; Cr: ≤0.1 mg/kg; Cu: ≤0.02 mg/kg; Fe: ≤0.5 mg/kg; K: ≤0.5 mg/kg; Li: ≤0.1 mg/kg; Mg: ≤0.1 mg/kg; Mn: ≤0.02 mg/kg; Mo: ≤0.1 mg/kg; Na: ≤0.5 mg/kg; Ni: ≤0.02 mg/kg; Pb: ≤0.1 mg/kg; Sr: ≤0.1 mg/kg; Zn: ≤0.1 mg/kg
• Linear Formula: CH3COCl
• Empirical Formula (Hill Notation): C2H3ClO

DETAILS

Sigma Aldrich - 708496

Packaging
100, 500 mL in Sure/Seal™

Sigma Aldrich - 320129

Packaging
1 kg in glass bottle

Sigma Aldrich - 239577

Packaging
50 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 114189

Packaging
1 kg in glass bottle
25, 500 g in glass bottle
Packaged in glass bottles