Propylene chlorohydrin

C₃H₇ClOCAS 78-89-794.54 g/mol

Open in Covalent MOL file

Alcohol Alkyl 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
Flash point: 51.7 °C (closed cup)
Water solubility: soluble
logP: 0.61Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled50% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P370+P378, P403+P235, P501

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

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.

(R)-(-)-2-Chloropropan-1-ol37493-14-4Defined stereoisomer (S)-(+)-2-Chloropropan-1-ol19210-21-0Defined stereoisomer

Similar compounds

2-Chlorobutane78-86-445 % similar 1,2-Dichloropropane78-87-545 % similar 2-Methyl-1,3-propanediol2163-42-042 % similar Dichloroethanol598-38-942 % similar Isobutanol78-83-142 % similar 1,3-Dichlorobutane1190-22-341 % similar R-(-)-1,2-Propanediol4254-14-238 % similar (+)-1,2-Propanediol4254-15-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Chloro-2-propanol127-00-4 (R)-1-Chloro-2-propanol19141-39-0 (Chloromethoxy)ethane3188-13-4 (S)-1-Chloro-2-propanol37493-16-6 3-Chloro-1-propanol627-30-5 2-Chloroethyl methyl ether627-42-9

Elsewhere

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