2,2′-Dinitrobiphenyl
Properties
- Molecular formula
- C12H8N2O4
- Molar mass
- 244.21 g/mol
- Exact mass
- 244.0484 Da
- Density
- 1.5 g/mL
- Melting point
- 126 °C
- Boiling point
- 305 °C
- logP
- 3.17Crippen estimate
- Polar surface area
- 86.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2436-96-6SMILES
O=[N+]([O-])c1ccccc1-c1ccccc1[N+](=O)[O-]InChIKey
QAFJHDNFUMKVIE-UHFFFAOYSA-NInChI
InChI=1S/C12H8N2O4/c15-13(16)11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(17)18/h1-8HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 2,2'-Dinitrobiphenyl
- 1,1′-Biphenyl, 2,2′-dinitro-
- Biphenyl, 2,2′-dinitro-
- 2,2′-Dinitro-1,1′-biphenyl
- NSC 13356
- 1-Nitro-2-(2-nitrophenyl)benzene
Reactions
Work with 2,2′-Dinitrobiphenyl
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-Dinitrobenzene528-29-076 % similar
2-Nitrobiphenyl86-00-076 % similar
1-Bromo-2-nitrobenzene577-19-562 % similar
1,5-Dinitronaphthalene605-71-060 % similar
1,4-Dinitronaphthalene6921-26-260 % similar
Bis(2-nitrophenyl) disulfide1155-00-659 % similar
1-Fluoro-2-nitrobenzene1493-27-259 % similar
2,2′-Dinitrodibenzyl16968-19-759 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds