4-Bromo-1-butene

C₄H₇BrCAS 5162-44-7135.00 g/mol

Open in Covalent MOL file

Alkene Alkyl halide

Properties

Molecular formula: C₄H₇Br
Molar mass: 135.00 g/mol
Exact mass: 133.9731 Da
Density: 1.323 g/mL (at 20 °C)
Boiling point: 98.5 °C
logP: 1.96Crippen 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
H317 May cause an allergic skin reaction22% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled96.6% of notifiers
H335 May cause respiratory irritation96.6% of notifiers

Aggregated from 59 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P260, P261, P264+P265, P271, P272, P280, P284, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P333+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

5162-44-7

SMILES

C=CCCBr

InChIKey

DMAYBPBPEUFIHJ-UHFFFAOYSA-N

InChI

InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2

Weigh it out

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

Names and synonyms

6 names

1-Butene, 4-bromo-
1-Bromo-3-butene
3-Butenyl bromide
Homoallyl bromide
4-Bromobutene-1
Allylcarbinyl bromide

Work with 4-Bromo-1-butene

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

5-Bromo-1-pentene1119-51-367 % similar 6-Bromo-1-hexene2695-47-863 % similar 8-Bromooct-1-ene2695-48-960 % similar 7-Bromo-1-heptene4117-09-360 % similar 10-Bromo-1-decene62871-09-460 % similar 11-Bromo-1-undecene7766-50-960 % similar 9-Bromo-1-nonene89359-54-660 % similar 1,5-Hexadiene592-42-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methallyl bromide1458-98-6 2-Bromo-1-butene23074-36-4 1-Bromo-2-methyl-1-propene3017-69-4 2-Bromo-2-butene3017-71-8 Bromocyclobutane4399-47-7 1-Bromo-2-butene4784-77-4 (Bromomethyl)cyclopropane7051-34-5

Elsewhere

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