3-Chloro-1-propanol

C₃H₇ClOCAS 627-30-594.54 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: 1.11 g/mL
Boiling point: 165 °C
Flash point: 73.3 °C
Water solubility: 50–100 g/L (22.8 °C)
logP: 0.61Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed22.9% of notifiers
H315 Causes skin irritation54.2% of notifiers
H319 Causes serious eye irritation60.8% of notifiers
H335 May cause respiratory irritation57.5% of notifiers

Aggregated from 153 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

627-30-5

SMILES

OCCCCl

InChIKey

LAMUXTNQCICZQX-UHFFFAOYSA-N

InChI

InChI=1S/C3H7ClO/c4-2-1-3-5/h5H,1-3H2

Weigh it out

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

Names and synonyms

8 names

1-Propanol, 3-chloro-
Trimethylene chlorohydrin
1-Chloro-3-hydroxypropane
3-Chloropropanol
1-Chloro-3-propanol
3-Chloro-1-hydroxypropane
3-Chloropropyl alcohol
NSC 60190

Reactions

Trimethylene chlorohydrin (1-Propanol, 3-chloro-)product

Work with 3-Chloro-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

8-Chloro-1-octanol23144-52-775 % similar 5-Chloro-1-pentanol5259-98-375 % similar 2-Chloroethanol107-07-360 % similar 1,4-Dichlorobutane110-56-550 % similar 1,4-Butanediol110-63-450 % similar 1,3-Dichloropropane142-28-950 % similar Polytetrahydrofuran25190-06-150 % similar 1,3-Propanediol504-63-250 % 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 2-Chloroethyl methyl ether627-42-9 Propylene chlorohydrin78-89-7

Elsewhere

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