2-Bromoisobutyl bromide
Properties
- Molecular formula
- C4H8Br2
- Molar mass
- 215.92 g/mol
- Exact mass
- 213.8993 Da
- Density
- 1.7628 g/mL (at 20 °C)
- Melting point
- 10.5 °C
- Boiling point
- 150 °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 swallowed97.6% of notifiers
- H312 Harmful in contact with skin97.6% of notifiers
- H315 Causes skin irritation97.6% of notifiers
- H319 Causes serious eye irritation97.6% of notifiers
- H332 Harmful if inhaled97.6% of notifiers
- H335 May cause respiratory irritation97.6% of notifiers
- H351 Suspected of causing cancer97.6% of notifiers
Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
594-34-3SMILES
CC(C)(Br)CBrInChIKey
SDTXSEXYPROZSZ-UHFFFAOYSA-NInChI
InChI=1S/C4H8Br2/c1-4(2,6)3-5/h3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
4 names
- Propane, 1,2-dibromo-2-methyl-
- 1,2-Dibromo-2-methylpropane
- Isobutylene bromide
- NSC 9233
Work with 2-Bromoisobutyl 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
1-Bromo-2,2-dimethylpropane630-17-147 % similar
2-Bromo-2-methylbutane507-36-844 % similar
1,3-Dibromo-2,2-bis(bromomethyl)propane3229-00-338 % similar
1-Bromo-2,2-dimethoxypropane126-38-536 % similar
3-Bromo-1,1,1-trifluoro-2,2-dimethylpropane1447671-73-936 % similar
3-Bromo-2,2-dimethyl-1-propanol40894-00-636 % similar
3-(Bromomethyl)-3-methyloxetane78385-26-936 % similar
1,2-Dibromo-1,1-dichloroethane75-81-035 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds