Trichloroacetyl chloride
Properties
- Molecular formula
- C2Cl4O
- Molar mass
- 181.82 g/mol
- Exact mass
- 179.8703 Da
- Density
- 1.6202 g/mL (at 20 °C)
- Melting point
- −31.8 °C
- Boiling point
- 117.9 °C
- logP
- 2.12Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H290 May be corrosive to metals67.5% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H314 Causes severe skin burns and eye damage99.4% of notifiers
- H318 Causes serious eye damage68.8% of notifiers
- H330 Fatal if inhaled31.9% of notifiers
- H335 May cause respiratory irritation65.6% of notifiers
- H400 Very toxic to aquatic life65% of notifiers
- H410 Very toxic to aquatic life with long lasting effects65% of notifiers
Aggregated from 160 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P320, P321, P330, P363, P390, P391, P403+P233, P405, P406, P501
Identifiers
CAS number
76-02-8SMILES
O=C(Cl)C(Cl)(Cl)ClInChIKey
PVFOMCVHYWHZJE-UHFFFAOYSA-NInChI
InChI=1S/C2Cl4O/c3-1(7)2(4,5)6Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Acetyl chloride, 2,2,2-trichloro-
- Acetyl chloride, trichloro-
- 2,2,2-Trichloroacetyl chloride
- Trichloroacetochloride
- Trichloroacetic acid chloride
- NSC 190466
Work with Trichloroacetyl 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-Chloro-2,2-difluoroacetyl chloride354-24-550 % similar
Pivaloyl chloride3282-30-245 % similar
Trifluoroacetyl chloride354-32-545 % similar
2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-045 % similar
Hexachloroacetone116-16-544 % similar
Bromodifluoroacetyl chloride3832-48-239 % similar
2,2,3,3,4,4-Hexafluoropentanedioyl dichloride678-77-339 % similar
Trichloroacetic anhydride4124-31-638 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.