1-Bromo-2-butyne

C4H5BrCAS 3355-28-0132.99 g/mol

Open in Covalent MOL file
Br
Alkyl halideAlkyne

Properties

Molecular formula
C4H5Br
Molar mass
132.99 g/mol
Exact mass
131.9575 Da
Density
1.4828 g/mL (at 20 °C)
Boiling point
68 °C (at 78 Torr)
logP
1.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 54 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
3355-28-0
SMILES
CC#CCBr
InChIKey
LNNXOEHOXSYWLD-UHFFFAOYSA-N
InChI
InChI=1S/C4H5Br/c1-2-3-4-5/h4H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • 2-Butyne, 1-bromo-
  • 2-Butyne, bromo-
  • 2-Butynyl bromide
  • 4-Bromobut-2-yne
  • 2-Butyn-1-yl bromide
  • 1-(Bromomethyl)-2-methylacetylene

Work with 1-Bromo-2-butyne

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-Bromopent-2-yne16400-32-145 % similar 2-Pentyne627-21-442 % similar (3-Bromo-1-propyn-1-yl)trimethylsilane38002-45-841 % similar 2-Butyn-1-ol764-01-240 % similar 2-Hexyne764-35-238 % similar 3-Pentyn-1-ol10229-10-436 % similar 1-Bromo-2-octyne18495-27-736 % similar 2-Heptyne1119-65-935 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Bromobut-1-yne38771-21-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook