chempirical

Chloroacetamide

C2H4ClNOCAS 79-07-293.51 g/mol

Open in Covalent MOL file
NH2OCl
Alkyl halide

Properties

Molecular formula
C2H4ClNO
Molar mass
93.51 g/mol
Exact mass
92.9981 Da
Density
1.6 g/mL
Melting point
120 °C
Boiling point
225 °C
Flash point
170 °C
Water solubility
90 g/L (25 °C)
logP
0.76Crippen estimate
Polar surface area
44.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P203, P261, P264, P270, P272, P280, P301+P316, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number
79-07-2
SMILES
N=C(O)CCl
InChIKey
VXIVSQZSERGHQP-UHFFFAOYSA-N
InChI
InChI=1S/C2H4ClNO/c3-1-2(4)5/h1H2,(H2,4,5)

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • Acetamide, 2-chloro-
  • Acetamide, α-chloro-
  • 2-Chloroacetamide
  • Chloracetamide
  • α-Chloroacetamide
  • Microcide
  • Mergal AF
  • KM 101
  • NSC 54286
  • NSC 8408
  • KM 101 (fungicide)

Reactions

Work with Chloroacetamide

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3-Chloropropanamide5875-24-152 % similar Malonamide108-13-450 % similar Succinamide110-14-550 % similar 2-Hydroxyacetamide598-42-545 % similar Adipamide628-94-445 % similar Iodoacetamide144-48-943 % similar Glycinamide598-41-443 % similar Fluoroacetamide640-19-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methylcarbamoyl chloride6452-47-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia