1,3-Dichloropropan-2-ol

C3H6Cl2OCAS 96-23-1128.98 g/mol

Open in Covalent MOL file
OHClCl
AlcoholAlkyl halide

Properties

Molecular formula
C3H6Cl2O
Molar mass
128.98 g/mol
Exact mass
127.9796 Da
Density
1.3506 g/mL (at 17 °C)
Melting point
−4 °C
Boiling point
174.3 °C
Flash point
73.9 °C (open cup)
Water solubility
110 g/L (20 °C)
logP
0.82Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Health Hazard (GHS08)

Harmonised EU classification (CLP Annex VI, index 602-064-00-0), via PubChem.

Precautionary statements

P203, P264, P270, P280, P301+P316, P302+P352, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number
96-23-1
SMILES
OC(CCl)CCl
InChIKey
DEWLEGDTCGBNGU-UHFFFAOYSA-N
InChI
InChI=1S/C3H6Cl2O/c4-1-3(6)2-5/h3,6H,1-2H2

Weigh it out

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

Names and synonyms

16 names · show all
  • 2-Propanol, 1,3-dichloro-
  • 1,3-Dichloro-2-propanol
  • Sym-Dichloroisopropyl alcohol
  • Glycerol α,γ-dichlorohydrin
  • Sym-Glycerol dichlorohydrin
  • α,γ-Dichlorohydrin
  • 1,3-Dichloro-2-hydroxypropane
  • Glycerol 1,3-dichlorohydrin
  • α-Dichlorohydrin
  • 1,3-Dichloroisopropanol
  • Propylene dichlorohydrin
  • 1,3-Dichloroisopropyl alcohol
  • 1,3-Dichlorohydrin
  • 2-Chloro-1-(chloromethyl)ethanol
  • Bis(chloromethyl)methanol
  • NSC 70982

Reactions

Work with 1,3-Dichloropropan-2-ol

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

(2R)-3-Chloro-1,2-propanediol57090-45-665 % similar (+)-3-Chloro-1,2-propanediol60827-45-465 % similar 3-Mcpd96-24-265 % similar (S)-4-Chloro-3-hydroxybutyronitrile127913-44-452 % similar (-)-1-Amino-3-chloro-2-propanol hydrochloride34839-13-952 % similar (3R)-4-Chloro-3-hydroxybutanenitrile84367-31-752 % similar (3-Chloro-2-hydroxypropyl)trimethylammonium chloride3327-22-846 % similar 1-Chloro-2-propanol127-00-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(+-)-2,3-Dichloro-1-propanol616-23-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia