Allyl bromide
Properties
- Molecular formula
- C3H5Br
- Molar mass
- 120.98 g/mol
- Exact mass
- 119.9575 Da
- Density
- 1.398 g/mL (at 20 °C)
- Melting point
- −119 °C
- Boiling point
- 71.3 °C
- Flash point
- -1.1 °C
- Water solubility
- 3.84 g/L (25 °C)
- logP
- 1.57Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Danger
- H225 Highly Flammable liquid and vapor92.6% of notifiers
- H300 Fatal if swallowed16.2% of notifiers
- H301 Toxic if swallowed82.4% of notifiers
- H310 Fatal in contact with skin16.2% of notifiers
- H314 Causes severe skin burns and eye damage79.4% of notifiers
- H315 Causes skin irritation17.6% of notifiers
- H319 Causes serious eye irritation19.1% of notifiers
- H330 Fatal if inhaled26.5% of notifiers
- H331 Toxic if inhaled64.7% of notifiers
- H335 May cause respiratory irritation17.6% of notifiers
- H340 May cause genetic defects17.6% of notifiers
- H350 May cause cancer23.5% of notifiers
- H400 Very toxic to aquatic life80.9% of notifiers
Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P318, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P370+P378, P391, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
106-95-6SMILES
C=CCBrInChIKey
BHELZAPQIKSEDF-UHFFFAOYSA-NInChI
InChI=1S/C3H5Br/c1-2-3-4/h2H,1,3H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
8 names
- 1-Propene, 3-bromo-
- Propene, 3-bromo-
- 3-Bromo-1-propene
- 3-Bromopropene
- 3-Bromopropylene
- 2-Propenyl bromide
- 1-Bromo-2-propene
- NSC 7596
Work with Allyl bromide
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
4-Bromo-1-butene5162-44-744 % similar
Diallyl disulfide2179-57-941 % similar
Allyl ether557-40-441 % similar
Diallyl sulfide592-88-141 % similar
5-Bromo-1-pentene1119-51-340 % similar
1,4-Pentadiene591-93-540 % similar
1,5-Hexadiene592-42-740 % similar
1,4-Dibromo-2-butene6974-12-540 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds