Dichloroacetyl chloride
Properties
- Molecular formula
- C2HCl3O
- Molar mass
- 147.38 g/mol
- Exact mass
- 145.9093 Da
- Density
- 1.5315 g/mL (at 16 °C)
- Melting point
- below 25 °C
- Boiling point
- 107–108 °C
- Flash point
- 66 °C
- logP
- 1.56Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damageSkin corrosion/irritation
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
Harmonised EU classification (CLP Annex VI, index 607-067-00-0), via PubChem.
Precautionary statements
P260, P264, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P391, P405, P501
Identifiers
CAS number
79-36-7SMILES
O=C(Cl)C(Cl)ClInChIKey
FBCCMZVIWNDFMO-UHFFFAOYSA-NInChI
InChI=1S/C2HCl3O/c3-1(4)2(5)6/h1HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Acetyl chloride, 2,2-dichloro-
- Acetyl chloride, dichloro-
- 2,2-Dichloroacetyl chloride
- Dichloracetyl chloride
- Dichloroethanoyl chloride
- α,α-Dichloroacetyl chloride
- Dichloroacetic acid chloride
Work with Dichloroacetyl 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
2-Chloropropanoyl chloride7623-09-848 % similar
Cyclopropanecarbonyl chloride4023-34-145 % similar
Isobutyryl chloride79-30-145 % similar
1,1,3,3-Tetrachloropropanone632-21-344 % similar
Cyclopentanecarbonyl chloride4524-93-041 % similar
Cyclobutanecarbonyl chloride5006-22-441 % similar
Cyclohexanecarbonyl chloride2719-27-939 % similar
2-Ethylbutyryl chloride2736-40-539 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds