2-bromoacetyl chloride

• ChemBase ID: 152379
• Molecular Formular: C2H2BrClO
• Molecular Mass: 157.39368
• Monoisotopic Mass: 155.89775436
• SMILES: C(C(=O)Cl)Br
• Canonical SMILES: ClC(=O)CBr
• InChI: InChI=1S/C2H2BrClO/c3-1-2(4)5/h1H2
• InChIKey: SYZRZLUNWVNNNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromoacetyl chloride
• IUPAC Traditional name: 2-bromoacetyl chloride
• Synonyms: Bromoacetyl chloride; 溴乙酰氯

Database IDs

• CAS Number: 22118-09-8
• EC Number: 244-790-7
• MDL Number: MFCD00000724
• Beilstein Number: 1209323
• PubChem SID: 162246524; 24849913
• PubChem CID: 89602

CALCULATED PROPERTIES

• Acid pKa: 17.41497
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.032823
• LogD (pH = 7.4): 1.032823
• Log P: 1.032823
• Molar Refractivity: 24.2389 cm^3
• Polarizability: 9.560456 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 127-128 °C(lit.)
• Density: 1.89 g/mL at 20 °C
• Refractive Index: n20/D 1.495

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 14-34-37
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥95% (GC)
• Linear Formula: BrCH2COCl

DETAILS

Sigma Aldrich - 16120

Packaging
25, 100, 500 mL in glass bottle