1-Chloro-2-propanol
Properties
- Molecular formula
- C3H7ClO
- Molar mass
- 94.54 g/mol
- Exact mass
- 94.0185 Da
- Density
- 1.115 g/mL (at 20 °C)
- Boiling point
- 126–127 °C
- Flash point
- 51.7 °C
- Water solubility
- ≥ 100 g/L (22.8 °C)
- logP
- 0.61Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H226 Flammable liquid and vapor100% of notifiers
- H301+H311+H331 Toxic if swallowed, in contact with skin or if inhaled60.1% of notifiers
- H301 Toxic if swallowed61.3% of notifiers
- H302 Harmful if swallowed37% of notifiers
- H311 Toxic in contact with skin60.7% of notifiers
- H315 Causes skin irritation39.9% of notifiers
- H318 Causes serious eye damage60.1% of notifiers
- H319 Causes serious eye irritation39.9% of notifiers
- H331 Toxic if inhaled61.3% of notifiers
- H332 Harmful if inhaled36.4% of notifiers
- H335 May cause respiratory irritation39.3% of notifiers
- H336 May cause drowsiness or dizziness60.1% of notifiers
Aggregated from 173 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
127-00-4SMILES
CC(O)CClInChIKey
YYTSGNJTASLUOY-UHFFFAOYSA-NInChI
InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 2-Propanol, 1-chloro-
- 1-Chloroisopropyl alcohol
- α-Propylene chlorohydrin
- sec-Propylene chlorohydrin
- 1-Chloro-2-hydroxypropane
- (±)-1-Chloro-2-propanol
- NSC 77373
Work with 1-Chloro-2-propanol
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
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
R-(-)-1,2-Propanediol4254-14-253 % similar
(+)-1,2-Propanediol4254-15-353 % similar
Propylene glycol57-55-653 % similar
(2R,5R)-2,5-Hexanediol17299-07-950 % similar
2,5-Hexanediol2935-44-650 % similar
(2S,5S)-(+)-Hexanediol34338-96-050 % similar
(2R,4R)-(-)-Pentanediol42075-32-150 % similar
2,4-Pentanediol625-69-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.