2-Bromo-2-butene

C₄H₇BrCAS 3017-71-8135.00 g/mol

Open in Covalent MOL file

Alkene Vinyl halide

Properties

Molecular formula: C₄H₇Br
Molar mass: 135.00 g/mol
Exact mass: 133.9731 Da
logP: 2.31Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0
Double bonds: EE/Z, in SMILES order

Hazards

Danger

H225 Highly Flammable liquid and vapor100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Identifiers

CAS number

3017-71-8

SMILES

C/C=C(\C)/Br

InChIKey

UILZQFGKPHAAOU-ONEGZZNKSA-N

InChI

InChI=1S/C4H7Br/c1-3-4(2)5/h3H,1-2H3/b4-3+

Weigh it out

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

Names and synonyms

1 names

2-Butene, 2-bromo-

Work with 2-Bromo-2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl-2-butene513-35-939 % similar 3-Methyl-1,3-pentadiene4549-74-030 % similar trans-2-Methyl-2-butenal497-03-030 % similar 3-Methyl-2-pentene922-61-230 % similar 1,1-Dichloropropene563-58-630 % 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 Bromocyclobutane4399-47-7 1-Bromo-2-butene4784-77-4 4-Bromo-1-butene5162-44-7 (Bromomethyl)cyclopropane7051-34-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook