4-Chloro-1-butanol

C₄H₉ClOCAS 928-51-8108.57 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide

Properties

Molecular formula: C₄H₉ClO
Molar mass: 108.57 g/mol
Exact mass: 108.0342 Da
Density: 1.0883 g/mL (at 20 °C)
Boiling point: 84–85 °C
logP: 1.00Crippen estimate
Polar surface area: 20.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor91.7% of notifiers
H302 Harmful if swallowed97.9% of notifiers
H315 Causes skin irritation95.8% of notifiers
H319 Causes serious eye irritation95.8% of notifiers
H335 May cause respiratory irritation95.8% of notifiers

Aggregated from 48 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

928-51-8

SMILES

OCCCCCl

InChIKey

HXHGULXINZUGJX-UHFFFAOYSA-N

InChI

InChI=1S/C4H9ClO/c5-3-1-2-4-6/h6H,1-4H2

Weigh it out

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

Names and synonyms

9 names

1-Butanol, 4-chloro-
Tetramethylene chlorohydrin
4-Chlorobutanol
4-Chloro-1-hydroxybutane
ω-Chlorobutanol
1-Chloro-4-butanol
NSC 10810
2-(2-Chloroethyl)ethanol
4-Chlorobutyl alcohol

Reactions

Tetramethylene chlorohydrin (1-Butanol, 4-chloro-)product

Work with 4-Chloro-1-butanol

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-octanol23144-52-793 % similar 5-Chloro-1-pentanol5259-98-393 % similar 1,4-Dichlorobutane110-56-557 % similar 1,4-Butanediol110-63-457 % similar Polytetrahydrofuran25190-06-157 % similar 2-Chloroethanol107-07-356 % similar 1,5-Pentanediol111-29-553 % similar 1,10-Decanediol112-47-053 % similar

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

Same formula

1-Chloro-3-methoxypropane36215-07-3 t-Butyl hypochlorite507-40-4 1-Chloro-2-methyl-2-propanol558-42-9 1-Chloro-2-ethoxyethane628-34-2

Elsewhere

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