3-Nitrobiphenyl
Properties
- Molecular formula
- C12H9NO2
- Molar mass
- 199.21 g/mol
- Exact mass
- 199.0633 Da
- Melting point
- 62 °C
- Boiling point
- 227 °C
- logP
- 3.26Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H332 Harmful if inhaled100% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501
Identifiers
CAS number
2113-58-8SMILES
O=[N+]([O-])c1cccc(-c2ccccc2)c1InChIKey
FYRPEHRWMVMHQM-UHFFFAOYSA-NInChI
InChI=1S/C12H9NO2/c14-13(15)12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 1,1′-Biphenyl, 3-nitro-
- Biphenyl, 3-nitro-
- 3-Nitro-1,1′-biphenyl
- m-Nitrobiphenyl
- 3-Nitrodiphenyl
- NSC 408697
- 3-Phenylnitrobenzene
- 3′-Nitrobiphenyl
- m-Nitrophenyl benzene
- 1-Nitro-3-phenylbenzene
Reactions
Work with 3-Nitrobiphenyl
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
1,3-Dinitrobenzene99-65-069 % similar
Nitrobenzene98-95-365 % similar
3-Nitrotoluene99-08-161 % similar
1-Fluoro-3-nitrobenzene402-67-558 % similar
3-Nitrobenzophenone2243-80-357 % similar
Bis(3-nitrophenyl) disulfide537-91-756 % similar
3-Nitrophenol554-84-756 % similar
1-Bromo-3-nitrobenzene585-79-556 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds