chempirical

Propylene chlorohydrin

C3H7ClOCAS 78-89-794.54 g/mol

Open in Covalent MOL file
ClOH
AlcoholAlkyl halide

Properties

Molecular formula
C3H7ClO
Molar mass
94.54 g/mol
Exact mass
94.0185 Da
Density
1.103 g/mL (at 20 °C)
Melting point
below 25 °C
Boiling point
133–134 °C
logP
0.61Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
78-89-7
SMILES
CC(Cl)CO
InChIKey
VZIQXGLTRZLBEX-UHFFFAOYSA-N
InChI
InChI=1S/C3H7ClO/c1-3(4)2-5/h3,5H,2H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

7 names
  • 1-Propanol, 2-chloro-
  • 2-Chloro-1-propanol
  • 2-Chloropropyl alcohol
  • 2-Chloropropanol
  • 1-Hydroxy-2-chloropropane
  • β-Propylene chlorohydrin
  • NSC 122672

Work with Propylene chlorohydrin

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-Chlorobutane78-86-445 % similar 1,2-Dichloropropane78-87-545 % similar 2-Methyl-1,3-propanediol2163-42-042 % similar 1,3-Dichlorobutane1190-22-341 % similar R-(-)-1,2-Propanediol4254-14-238 % similar (+)-1,2-Propanediol4254-15-338 % similar Propylene glycol57-55-638 % similar L-Alaninol2749-11-336 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-Chloro-2-propanol127-00-4 (Chloromethoxy)ethane3188-13-4 (S)-1-Chloro-2-propanol37493-16-6 3-Chloro-1-propanol627-30-5 2-Chloroethyl methyl ether627-42-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook