4-Bromobut-1-yne

C₄H₅BrCAS 38771-21-0132.99 g/mol

Open in Covalent MOL file

Alkyl halide Alkyne

Properties

Molecular formula: C₄H₅Br
Molar mass: 132.99 g/mol
Exact mass: 131.9575 Da
logP: 1.40Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor100% of notifiers
H301 Toxic if swallowed97.9% of notifiers
H317 May cause an allergic skin reaction97.9% of notifiers

Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P270, P272, P280, P301+P316, P302+P352, P303+P361+P353, P321, P330, P333+P317, P362+P364, P370+P378, P403+P235, P405, P501

Identifiers

CAS number

38771-21-0

SMILES

C#CCCBr

InChIKey

XLYOGWXIKVUXCL-UHFFFAOYSA-N

InChI

InChI=1S/C4H5Br/c1-2-3-4-5/h1H,3-4H2

Weigh it out

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

Names and synonyms

1 names

4-Bromo-1-butyne

Work with 4-Bromobut-1-yne

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

1,5-Hexadiyne628-16-053 % similar 1,6-Heptadiyne2396-63-647 % similar 1,7-Octadiyne871-84-147 % similar Propargyl bromide106-96-744 % similar 1,9-Decadiyne1720-38-344 % similar 1,8-Nonadiyne2396-65-844 % similar 3-Bromopropionitrile2417-90-540 % similar 4-Chloro-1-butyne51908-64-640 % similar

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

Same formula

1-Bromo-2-butyne3355-28-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook