Trifluoroacetyl chloride
Properties
- Molecular formula
- C2ClF3O
- Molar mass
- 132.47 g/mol
- Exact mass
- 131.9590 Da
- Density
- 1.384 g/mL (at 20 °C)
- Melting point
- 146 °C
- Boiling point
- −27 °C
- logP
- 1.31Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H280 Contains gas under pressure; may explode if heated46.6% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H318 Causes serious eye damage46.6% of notifiers
- H330 Fatal if inhaled46.6% of notifiers
- H335 May cause respiratory irritation53.4% of notifiers
- H361d Suspected of damaging the unborn child46.6% of notifiers
- H372 Causes damage to organs through prolonged or repeated exposure46.6% of notifiers
- H412 Harmful to aquatic life with long lasting effects46.6% of notifiers
Aggregated from 73 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P261, P264, P264+P265, P270, P271, P273, P280, P284, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P363, P403+P233, P405, P410+P403, P501
Identifiers
CAS number
354-32-5SMILES
O=C(Cl)C(F)(F)FInChIKey
PNQBEPDZQUOCNY-UHFFFAOYSA-NInChI
InChI=1S/C2ClF3O/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
4 names
- Acetyl chloride, 2,2,2-trifluoro-
- Acetyl chloride, trifluoro-
- 2,2,2-Trifluoroacetyl chloride
- Perfluoroacetyl chloride
Work with Trifluoroacetyl 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
2,2,3,3-Tetrafluorobutanedioyl dichloride356-15-058 % similar
2-Chloro-2,2-difluoroacetyl chloride354-24-555 % similar
Bromodifluoroacetyl chloride3832-48-250 % similar
2,2,3,3,4,4-Hexafluoropentanedioyl dichloride678-77-350 % similar
2,2,3,3-Tetrafluoropropanoyl chloride663-73-046 % similar
Trichloroacetyl chloride76-02-845 % similar
Heptafluorobutyryl chloride375-16-644 % similar
2-Bromo-2,3,3,3-tetrafluoropropanoyl chloride6066-45-144 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.