Chloroacetyl chloride
Properties
- Molecular formula
- C2H2Cl2O
- Molar mass
- 112.94 g/mol
- Exact mass
- 111.9483 Da
- Density
- 1.4202 g/mL (at 20 °C)
- Melting point
- −21.77 °C
- Boiling point
- 106 °C
- Flash point
- 100 °C (closed cup)
- Water solubility
- insoluble
- logP
- 0.99Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowedAcute toxicity, oral
- H311 Toxic in contact with skinAcute toxicity, dermal
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H331 Toxic if inhaledAcute toxicity, inhalation
- H372 ** Causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI), via PubChem.
Precautionary statements
P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P361+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
79-04-9SMILES
O=C(Cl)CClInChIKey
VGCXGMAHQTYDJK-UHFFFAOYSA-NInChI
InChI=1S/C2H2Cl2O/c3-1-2(4)5/h1H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Acetyl chloride, 2-chloro-
- Acetyl chloride, chloro-
- 2-Chloroacetyl chloride
- Chloracetyl chloride
- Monochloroacetyl chloride
- Chloroacetic chloride
- Chloroacetic acid chloride
- Chloroethanoyl chloride
- α-Chloroacetic chloride
- 9: PN: WO2007101224 PAGE: 36 claimed sequence
Work with Chloroacetyl chloride
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
Malonyl chloride1663-67-853 % similar
Succinyl chloride543-20-453 % similar
3-Chloropropionyl chloride625-36-550 % similar
Adipoyl chloride111-50-247 % similar
Glutaryl chloride2873-74-747 % similar
4-Chlorobutyryl chloride4635-59-045 % similar
Suberoyl chloride10027-07-345 % similar
Sebacoyl chloride111-19-345 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds