2,3-Dibromobutane
Properties
- Molecular formula
- C4H8Br2
- Molar mass
- 215.92 g/mol
- Exact mass
- 213.8993 Da
- Density
- 1.7892 g/mL (at 20 °C)
- Melting point
- −24 °C
- Boiling point
- 161 °C
- logP
- 2.55Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed89.4% of notifiers
- H312 Harmful in contact with skin89.4% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled89.4% of notifiers
- H335 May cause respiratory irritation97.9% of notifiers
Aggregated from 47 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
5408-86-6SMILES
CC(Br)C(C)BrInChIKey
BXXWFOGWXLJPPA-UHFFFAOYSA-NInChI
InChI=1S/C4H8Br2/c1-3(5)4(2)6/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
2 names
- Butane, 2,3-dibromo-
- NSC 8414
Work with 2,3-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
1,1-Dibromoethane557-91-538 % similar
2-Bromopropane75-26-338 % similar
2,3-Dibromobutanoic acid600-30-636 % similar
2,4-Dibromopentane19398-53-931 % similar
2,5-Dibromohexane24774-58-131 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds