1,3-Dinitrobenzene
Properties
- Molecular formula
- C6H4N2O4
- Molar mass
- 168.11 g/mol
- Exact mass
- 168.0171 Da
- Density
- 1.575 g/mL (at 18 °C)
- Melting point
- 89–90 °C
- Boiling point
- 302.8 °C (at 770 Torr)
- Flash point
- 150 °C (closed cup)
- Water solubility
- 533 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), 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
99-65-0SMILES
O=[N+]([O-])c1cccc([N+](=O)[O-])c1InChIKey
WDCYWAQPCXBPJA-UHFFFAOYSA-NInChI
InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
7 names
- Benzene, 1,3-dinitro-
- Benzene, m-dinitro-
- m-Dinitrobenzene
- DNB
- meta-Dinitrobenzene
- NSC 7189
- DNB (explosive)
Work with 1,3-Dinitrobenzene
Similar compounds
3-Nitrochlorobenzene121-73-372 % similar
1-Fluoro-3-nitrobenzene402-67-572 % similar
1,3,5-Trinitrobenzene99-35-470 % similar
3-Nitrobiphenyl2113-58-869 % similar
Bis(3-nitrophenyl) disulfide537-91-769 % similar
3-Nitrophenol554-84-769 % similar
1-Bromo-3-nitrobenzene585-79-569 % similar
1-Iodo-3-nitrobenzene645-00-169 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds