Chloroacetic anhydride
Properties
- Molecular formula
- C4H4Cl2O3
- Molar mass
- 170.97 g/mol
- Exact mass
- 169.9537 Da
- Density
- 1.5494 g/mL (at 20 °C)
- Melting point
- 46 °C
- Boiling point
- 203 °C
- logP
- 0.53Crippen estimate
- Polar surface area
- 43.4 Ų
- H-bond donors / acceptors
- 0 / 3
- Rotatable bonds
- 2
Hazards
Danger
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled67.5% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H311 Toxic in contact with skin71.4% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H317 May cause an allergic skin reaction24.7% of notifiers
- H318 Causes serious eye damage68.8% of notifiers
- H331 Toxic if inhaled71.4% of notifiers
- H400 Very toxic to aquatic life71.4% of notifiers
- H410 Very toxic to aquatic life with long lasting effects67.5% of notifiers
Aggregated from 154 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P361+P364, P362+P364, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
541-88-8SMILES
O=C(CCl)OC(=O)CClInChIKey
PNVPNXKRAUBJGW-UHFFFAOYSA-NInChI
InChI=1S/C4H4Cl2O3/c5-1-3(7)9-4(8)2-6/h1-2H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Acetic acid, 2-chloro-, 1,1′-anhydride
- Acetic acid, chloro-, anhydride
- Chloroacetic acid anhydride
- Chloracetic anhydride
- Chloroacetyl anhydride
- 2-Chloroacetic anhydride
- α,α′-Dichloroacetic anhydride
- NSC 71207
- Bis(chloroacetic acid) anhydride
- 2-Chloroacetyl 2-chloroacetate
Work with Chloroacetic anhydride
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
Methyl chloroacetate96-34-457 % similar
Ethyl chloroacetate105-39-552 % similar
Ethenyl 2-chloroacetate2549-51-152 % similar
Isopropyl chloroacetate105-48-650 % similar
tert-Butyl chloroacetate107-59-550 % similar
Succinic anhydride108-30-550 % similar
Glutaric anhydride108-55-447 % similar
2-Propen-1-yl 2-chloroacetate2916-14-546 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds