1,1,3-Trichloroacetone
Properties
- Molecular formula
- C3H3Cl3O
- Molar mass
- 161.41 g/mol
- Exact mass
- 159.9249 Da
- Boiling point
- 172 °C
- logP
- 1.60Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed97.6% of notifiers
- H314 Causes severe skin burns and eye damage100% of notifiers
- H330 Fatal if inhaled100% of notifiers
- H400 Very toxic to aquatic life100% of notifiers
- H410 Very toxic to aquatic life with long lasting effects100% of notifiers
Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P264, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P320, P321, P330, P363, P391, P403+P233, P405, P501
Identifiers
CAS number
921-03-9SMILES
O=C(CCl)C(Cl)ClInChIKey
ZWILTCXCTVMANU-UHFFFAOYSA-NInChI
InChI=1S/C3H3Cl3O/c4-1-2(7)3(5)6/h3H,1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2-Propanone, 1,1,3-trichloro-
- 1,1,3-Trichloro-2-propanone
- α,α′,α′-Trichloroacetone
- 1,1,2-Trichloroacetone
Work with 1,1,3-Trichloroacetone
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
Bis(chloromethyl) ketone534-07-638 % similar
1,1,3,3-Tetrachloropropanone632-21-338 % similar
Chloroacetyl chloride79-04-935 % similar
Dichloroacetyl chloride79-36-735 % similar
1,1-Dichloroacetone513-88-233 % similar
Chloroacetic anhydride541-88-833 % similar
2-Chlorocyclopentanone694-28-033 % similar
Chloroacetone78-95-533 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.