2-Nitrobiphenyl

C12H9NO2CAS 86-00-0199.21 g/mol

Open in Covalent MOL file
ON+O−
Nitro

Properties

Molecular formula
C12H9NO2
Molar mass
199.21 g/mol
Exact mass
199.0633 Da
Density
1.203 g/mL (at 25 °C)
Melting point
37.2 °C
Boiling point
320 °C
Flash point
143.3 °C
Water solubility
< 1 g/L (22.2 °C)
logP
3.26Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number
86-00-0
SMILES
O=[N+]([O-])c1ccccc1-c1ccccc1
InChIKey
YOJKKXRJMXIKSR-UHFFFAOYSA-N
InChI
InChI=1S/C12H9NO2/c14-13(15)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

10 names
  • 1,1′-Biphenyl, 2-nitro-
  • Biphenyl, 2-nitro-
  • 2-Nitro-1,1′-biphenyl
  • o-Nitrobiphenyl
  • o-Nitrodiphenyl
  • ONB
  • 2-Phenylnitrobenzene
  • NSC 5532
  • 2′-Nitrobiphenyl
  • o-Nitrophenyl benzene

Work with 2-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

2,2′-Dinitrobiphenyl2436-96-676 % similar 1,2-Dinitrobenzene528-29-064 % similar 2,4,6-Triphenylnitrobenzene10368-47-556 % similar 1-Bromo-2-nitrobenzene577-19-553 % similar 4-Nitro-1,1'-biphenyl92-93-353 % similar 1,5-Dinitronaphthalene605-71-052 % similar 1,4-Dinitronaphthalene6921-26-252 % similar Bis(2-nitrophenyl) disulfide1155-00-652 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Nitrobiphenyl2113-58-8 2-Phenyl-3-pyridinecarboxylic acid33421-39-5 Phenyl 3-pyridinecarboxylate3468-53-9 6-Phenylpyridine-2-carboxylic acid39774-28-2 4-(2-Pyridyl)benzoic acid4385-62-0 4-Pyridin-3-yl-benzoic acid4385-75-5 4-(Pyridin-4-yl)benzoic acid4385-76-6 3-(Pyridin-3-yl)benzoic acid4385-77-7

Elsewhere

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