5-Bromo-1-pentene

C₅H₉BrCAS 1119-51-3149.03 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₅H₉Br
Molar mass: 149.03 g/mol
Exact mass: 147.9888 Da
Density: 1.2581 g/mL (at 20 °C)
Boiling point: 125.5 °C
logP: 2.35Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation98.2% of notifiers
H319 Causes serious eye irritation98.2% of notifiers
H335 May cause respiratory irritation94.5% of notifiers

Aggregated from 55 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

1119-51-3

SMILES

C=CCCCBr

InChIKey

LPNANKDXVBMDKE-UHFFFAOYSA-N

InChI

InChI=1S/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H2

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), 3.40 (t, J = 7.0 Hz, 2H), 2.18 (quint, J = 7.0 Hz, 2H), 2.04 (q, J = 6.9 Hz, 2H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 140.5, 113.5, 33.8, 33.0, 31.9.

[M + H]+

[M + H]+ Calcd for C5H10Br 148.9960

[M + Na]+

[M + Na]+ Calcd for C5H9BrNa 170.9780

[M − H]−

[M − H]− Calcd for C5H8Br 146.9815

Elemental analysis

Anal. Calcd for C5H9Br: C, 40.30; H, 6.09.