1,2-Dinitrobenzene
Properties
- Molecular formula
- C6H4N2O4
- Molar mass
- 168.11 g/mol
- Exact mass
- 168.0171 Da
- Density
- 1.31 g/mL
- Melting point
- 117–118.5 °C
- Boiling point
- 319 °C (at 773 Torr)
- Flash point
- 150 °C (closed cup)
- Water solubility
- 133 mg/L
- logP
- 1.50Crippen estimate
- Polar surface area
- 86.3 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Danger
- H300 Fatal if swallowedAcute toxicity, oral
- H310 Fatal in contact with skinAcute toxicity, dermal
- H330 Fatal if inhaledAcute toxicity, inhalation
- H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
- H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
- H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 609-004-00-2[4]), via PubChem.
Precautionary statements
P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501
Identifiers
CAS number
528-29-0SMILES
O=[N+]([O-])c1ccccc1[N+](=O)[O-]InChIKey
IZUKQUVSCNEFMJ-UHFFFAOYSA-NInChI
InChI=1S/C6H4N2O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Benzene, 1,2-dinitro-
- Benzene, o-dinitro-
- o-Dinitrobenzene
- ortho-Dinitrobenzene
- NSC 60682
Work with 1,2-Dinitrobenzene
Similar compounds
2,2′-Dinitrobiphenyl2436-96-676 % similar
1-Bromo-2-nitrobenzene577-19-570 % similar
1,5-Dinitronaphthalene605-71-068 % similar
1,4-Dinitronaphthalene6921-26-268 % similar
Bis(2-nitrophenyl) disulfide1155-00-667 % similar
1-Fluoro-2-nitrobenzene1493-27-267 % similar
2,2′-Dinitrodibenzyl16968-19-767 % similar
1-Iodo-2-nitrobenzene609-73-467 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds