1-Bromo-2-nitrobenzene
Properties
- Molecular formula
- C6H4BrNO2
- Molar mass
- 202.01 g/mol
- Exact mass
- 200.9425 Da
- Melting point
- 43 °C
- Boiling point
- 258 °C
- logP
- 2.36Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Danger
- H301 Toxic if swallowed11.5% of notifiers
- H302 Harmful if swallowed84.6% of notifiers
- H311 Toxic in contact with skin11.5% of notifiers
- H315 Causes skin irritation88.5% of notifiers
- H319 Causes serious eye irritation88.5% of notifiers
- H335 May cause respiratory irritation86.5% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure15.4% of notifiers
Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
577-19-5SMILES
O=[N+]([O-])c1ccccc1BrInChIKey
ORPVVAKYSXQCJI-UHFFFAOYSA-NInChI
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Benzene, 1-bromo-2-nitro-
- o-Bromonitrobenzene
- 2-Bromonitrobenzene
- o-Nitrobromobenzene
- 2-Nitrobromobenzene
- o-Nitrophenyl bromide
- 2-Bromo-1-nitrobenzene
- 2-Nitrophenyl bromide
- NSC 403836
- 2-Nitro-1-bromobenzene
Work with 1-Bromo-2-nitrobenzene
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
1,2-Dinitrobenzene528-29-070 % similar
1-Bromo-2-chloro-3-nitrobenzene3970-37-466 % similar
1-Bromo-5-nitronaphthalene5328-76-766 % similar
2-Bromo-6-nitrophenol13073-25-163 % similar
2-Bromo-6-nitrotoluene55289-35-563 % similar
3-Bromo-2-fluoronitrobenzene58534-94-463 % similar
2-Bromo-6-nitrobenzenamine59255-95-763 % similar
2,2′-Dinitrobiphenyl2436-96-662 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
Same formula
3-Bromoisonicotinic acid13959-02-9
4-Bromopyridine-3-carboxylic acid15366-62-8
5-Bromonicotinic acid20826-04-4
6-Bromopyridine-2-carboxylic acid21190-87-4
3-Bromopyridine-2-carboxylic acid30683-23-9
4-Bromopyridine-2-carboxylic acid30766-03-1
5-Bromopyridine-2-carboxylic acid30766-11-1
2-Bromonicotinic acid35905-85-2