1,2,3-Trichloro-1-propene
Properties
- Molecular formula
- C3H3Cl3
- Molar mass
- 145.41 g/mol
- Exact mass
- 143.9300 Da
- Density
- 1.412 g/mL (at 20 °C)
- Boiling point
- 142 °C
- Flash point
- 85 °C (open cup)
- logP
- 2.54Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H227 Combustible liquid50% of notifiers
- H301 Toxic if swallowed50% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H311 Toxic in contact with skin100% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation50% of notifiers
- H330 Fatal if inhaled50% of notifiers
- H331 Toxic if inhaled50% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P260, P261, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403, P403+P233, P405, P501
Identifiers
CAS number
96-19-5SMILES
ClC=C(Cl)CClInChIKey
HIILBTHBHCLUER-UHFFFAOYSA-NInChI
InChI=1S/C3H3Cl3/c4-1-3(6)2-5/h1H,2H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- 1-Propene, 1,2,3-trichloro-
- Propene, 1,2,3-trichloro-
- 1,2,3-Trichloropropene
- 2,3-Dichloroallyl chloride
- NSC 164001
Work with 1,2,3-Trichloro-1-propene
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
Trichloroethylene79-01-637 % similar
1,1,2,3-Tetrachloro-1-propene10436-39-232 % similar
1-Fluoro-1,2-dichloroethylene430-58-032 % similar
1,2-Dichloropropylene563-54-232 % similar
2,3-Dichloropropene78-88-632 % similar
Chloroacetyl chloride79-04-932 % similar
Di-allate2303-16-431 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.