Chloroacetone
Properties
- Molecular formula
- C3H5ClO
- Molar mass
- 92.52 g/mol
- Exact mass
- 92.0029 Da
- Density
- 1.123 g/mL (at 25 °C)
- Melting point
- −44.5 °C
- Boiling point
- 119.7 °C
- Flash point
- 35 °C (closed cup)
- Water solubility
- miscible
- logP
- 0.81Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor48.1% of notifiers
- H301 Toxic if swallowed99.2% of notifiers
- H310+H330 Fatal in contact with skin or if inhaled27.4% of notifiers
- H310 Fatal in contact with skin46.9% of notifiers
- H311 Toxic in contact with skin52.3% of notifiers
- H315 Causes skin irritation97.1% of notifiers
- H319 Causes serious eye irritation97.1% of notifiers
- H330 Fatal if inhaled97.9% of notifiers
- H335 May cause respiratory irritation97.1% of notifiers
- H400 Very toxic to aquatic life66% of notifiers
- H410 Very toxic to aquatic life with long lasting effects66% of notifiers
Aggregated from 241 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
78-95-5SMILES
CC(=O)CClInChIKey
BULLHNJGPPOUOX-UHFFFAOYSA-NInChI
InChI=1S/C3H5ClO/c1-3(5)2-4/h2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- 2-Propanone, 1-chloro-
- 2-Propanone, chloro-
- 1-Chloro-2-propanone
- Acetonyl chloride
- Chloropropanone
- Monochloroacetone
- α-Chloroacetone
- 1-Chloroacetone
- Chloromethyl methyl ketone
- Chloro-2-propanone
- Methyl chloromethyl ketone
- NSC 30673
Work with Chloroacetone
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
4-Chloro-2-butanone6322-49-252 % similar
Hexane-2,5-dione110-13-450 % similar
Acetylacetone123-54-650 % similar
5-Chloro-2-pentanone5891-21-448 % similar
6-Chlorohexan-2-one10226-30-946 % similar
Butanone78-93-345 % similar
Hydroxyacetone116-09-643 % similar
2,15-Hexadecanedione18650-13-043 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds