(+-)-2,3-Dichloro-1-propanol
Properties
- Molecular formula
- C3H6Cl2O
- Molar mass
- 128.98 g/mol
- Exact mass
- 127.9796 Da
- Density
- 1.3607 g/mL (at 20 °C)
- Boiling point
- 183–185 °C
- Flash point
- 91.4 °C
- Water solubility
- 1–10 g/L (24.5 °C)
- logP
- 0.82Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Danger
- H301 Toxic if swallowed100% of notifiers
- H310 Fatal in contact with skin99.1% of notifiers
- H315 Causes skin irritation27% of notifiers
- H318 Causes serious eye damage76.6% of notifiers
- H319 Causes serious eye irritation23.4% of notifiers
- H332 Harmful if inhaled72.1% of notifiers
Aggregated from 111 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501
Identifiers
CAS number
616-23-9SMILES
OCC(Cl)CClInChIKey
ZXCYIJGIGSDJQQ-UHFFFAOYSA-NInChI
InChI=1S/C3H6Cl2O/c4-1-3(5)2-6/h3,6H,1-2H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
12 names
- (±)-2,3-Dichloro-1-propanol
- 1-Propanol, 2,3-dichloro-
- 2,3-Dichloro-1-propanol
- Glycerol α,β-dichlorohydrin
- α,β-Dichlorohydrin
- β-Dichlorohydrin
- Glycerol 1,2-dichlorohydrin
- 2,3-Dichloropropyl alcohol
- β,γ-Dichlorohydrin
- (RS)-2,3-Dichloro-1-propanol
- 2,3-Dichlorohydrin
- 1,2-Dichlorohydrin
Work with (+-)-2,3-Dichloro-1-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
Similar compounds
1,2,3-Trichloropropane96-18-459 % similar
(2R)-3-Chloro-1,2-propanediol57090-45-645 % similar
(+)-3-Chloro-1,2-propanediol60827-45-445 % similar
1,2-Dichlorobutane616-21-745 % similar
3-Mcpd96-24-245 % similar
1,2-Dichloropentane1674-33-542 % similar
Dichloroethanol598-38-940 % similar
1,1,2-Trichloroethane79-00-535 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.