1-Bromo-2-butene
Properties
- Molecular formula
- C4H7Br
- Molar mass
- 135.00 g/mol
- Exact mass
- 133.9731 Da
- Density
- 1.3357 g/mL (at 25 °C)
- Boiling point
- 104.5 °C
- logP
- 1.96Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P501
Identifiers
CAS number
4784-77-4SMILES
CC=CCBrInChIKey
AVMHMVJVHYGDOO-UHFFFAOYSA-NInChI
InChI=1S/C4H7Br/c1-2-3-4-5/h2-3H,4H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- 2-Butene, 1-bromo-
- Crotyl bromide
- 2-Butenyl bromide
- Crotonyl bromide
- 4-Bromo-2-butene
- NSC 20942
- 1-Bromomethylprop-1-ene
Work with 1-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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
1,4-Dibromo-2-butene6974-12-557 % similar
trans-1,4-Dibromo-2-butene821-06-757 % similar
Pent-2-ene109-68-239 % similar
cis-2-Pentene627-20-339 % similar
trans-2-Pentene646-04-839 % similar
(2E)-1-Chloro-2-butene4894-61-537 % similar
Crotyl chloride591-97-937 % similar
Crotyl alcohol6117-91-537 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.