1,2-Dibromobutane
Properties
- Molecular formula
- C4H8Br2
- Molar mass
- 215.92 g/mol
- Exact mass
- 213.8993 Da
- Density
- 2.0174 g/mL (at 19 °C)
- Melting point
- −65.4 °C
- Boiling point
- 166.3 °C
- logP
- 2.55Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
533-98-2SMILES
CCC(Br)CBrInChIKey
CZWSZZHGSNZRMW-UHFFFAOYSA-NInChI
InChI=1S/C4H8Br2/c1-2-4(6)3-5/h4H,2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Butane, 1,2-dibromo-
- α-Butylene dibromide
- (±)-1,2-Dibromobutane
- NSC 6181
Work with 1,2-Dibromobutane
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
3-Bromopentane1809-10-565 % similar
1,2,3-Tribromopropane96-11-759 % similar
3-Bromohexane3377-87-550 % similar
1-Bromo-2-ethylbutane3814-34-450 % similar
3-Bromoheptane1974-05-646 % similar
1-Bromo-2-methylbutane10422-35-245 % similar
(2S)-1-Bromo-2-methylbutane534-00-945 % similar
1,2-Dibromo-3-chloropropane96-12-845 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds