2-Bromo-2-nitropropane
Properties
- Molecular formula
- C3H6BrNO2
- Molar mass
- 167.99 g/mol
- Exact mass
- 166.9582 Da
- Melting point
- 33–35 °C
- Boiling point
- 153 °C
- logP
- 1.39Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed90.7% of notifiers
- H312 Harmful in contact with skin90.7% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled90.7% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 43 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
5447-97-2SMILES
CC(C)(Br)[N+](=O)[O-]InChIKey
OADSZWXMXIWZSQ-UHFFFAOYSA-NInChI
InChI=1S/C3H6BrNO2/c1-3(2,4)5(6)7/h1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- Propane, 2-bromo-2-nitro-
- NSC 17672
Work with 2-Bromo-2-nitropropane
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
Dmdnb3964-18-950 % similar
2-Methyl-2-nitropropane594-70-750 % similar
2-Chloro-2-nitropropane594-71-844 % similar
1,1-Dichloro-1-nitroethane594-72-944 % similar
Tetranitromethane509-14-843 % similar
Bronopol52-51-739 % similar
2,2,4-Trimethyl-4-nitropentane5342-78-939 % similar
2,2-Dibromo-2-nitroethanol69094-18-439 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.