4-Chloro-1-butene

C₄H₇ClCAS 927-73-190.55 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₄H₇Cl
Molar mass: 90.55 g/mol
Exact mass: 90.0236 Da
Density: 0.9211 g/mL (at 20 °C)
Boiling point: 75 °C
logP: 1.80Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation25% of notifiers
H319 Causes serious eye irritation25% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P264+P265, P270, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

927-73-1

SMILES

C=CCCCl

InChIKey

WKEVRZCQFQDCIR-UHFFFAOYSA-N

InChI

InChI=1S/C4H7Cl/c1-2-3-4-5/h2H,1,3-4H2

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 5.70 (ddt, J = 16.8, 10.8, 6.8 Hz, 1H), 5.03 (dd, J = 16.8, 1.4 Hz, 1H), 4.97 (dd, J = 10.8, 1.4 Hz, 1H), 3.63 (t, J = 7.0 Hz, 2H), 2.67 (q, J = 6.9 Hz, 2H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 140.5, 113.5, 44.7, 36.3.

[M + H]+

[M + H]+ Calcd for C4H8Cl 91.0309

[M + Na]+

[M + Na]+ Calcd for C4H7ClNa 113.0128

[M − H]−

[M − H]− Calcd for C4H6Cl 89.0164

Elemental analysis

Anal. Calcd for C4H7Cl: C, 53.06; H, 7.79.