1-Bromo-4-nitrobenzene
Properties
- Molecular formula
- C6H4BrNO2
- Molar mass
- 202.01 g/mol
- Exact mass
- 200.9425 Da
- Melting point
- 127 °C
- Boiling point
- 256 °C
- logP
- 2.36Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.9% of notifiers
- H312 Harmful in contact with skin16.7% of notifiers
- H315 Causes skin irritation18.8% of notifiers
- H319 Causes serious eye irritation18.8% of notifiers
- H332 Harmful if inhaled16.7% of notifiers
- H335 May cause respiratory irritation16.7% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure14.6% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, 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
586-78-7SMILES
O=[N+]([O-])c1ccc(Br)cc1InChIKey
ZDFBKZUDCQQKAC-UHFFFAOYSA-NInChI
InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzene, 1-bromo-4-nitro-
- p-Nitrobromobenzene
- 4-Bromonitrobenzene
- 4-Nitrobromobenzene
- p-Bromonitrobenzene
- p-Nitrophenyl bromide
- 4-Nitrophenyl bromide
- 4-Bromo-1-nitrobenzene
- NSC 3526
- 4-Nitro-1-bromobenzene
- 1-Nitro-4-bromobenzene
Work with 1-Bromo-4-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
1,4-Dinitrobenzene100-25-471 % similar
4,4'-Dinitro-1,1'-biphenyl1528-74-163 % similar
4-Nitrophenol100-02-762 % similar
1-Bromo-3,5-dinitrobenzene18242-39-262 % similar
3,5-Dibromonitro benzene6311-60-062 % similar
1-Bromo-3-nitrobenzene585-79-559 % similar
1,2-Bis(4-nitrophenyl)ethane736-30-158 % similar
Nitrobenzene98-95-356 % 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