Trinitroanisole
Properties
- Molecular formula
- C7H5N3O7
- Molar mass
- 243.13 g/mol
- Exact mass
- 243.0127 Da
- Density
- 1.61 g/mL
- Melting point
- 69 °C
- Water solubility
- 200 mg/L (15 °C)
- logP
- 1.42Crippen estimate
- Polar surface area
- 138.7 Ų
- H-bond donors / acceptors
- 0 / 7
- Rotatable bonds
- 4
Hazards
Warning
- H201 (Deleted) Explosive; mass explosion hazardExplosives
- H302 Harmful if swallowedAcute toxicity, oral
- H312 Harmful in contact with skinAcute toxicity, dermal
- H332 Harmful if inhaledAcute toxicity, inhalation
- H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard
Harmonised EU classification (CLP Annex VI, index 609-011-00-0), via PubChem.
Precautionary statements
P210, P230, P240, P250, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P370+P380, P372, P373, P391, P401, P501
Identifiers
CAS number
606-35-9SMILES
COc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]InChIKey
FMXDVBRYDYFVGS-UHFFFAOYSA-NInChI
InChI=1S/C7H5N3O7/c1-17-7-5(9(13)14)2-4(8(11)12)3-6(7)10(15)16/h2-3H,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
9 names
- Benzene, 2-methoxy-1,3,5-trinitro-
- Anisole, 2,4,6-trinitro-
- 2-Methoxy-1,3,5-trinitrobenzene
- 2,4,6-Trinitroanisole
- Methyl picrate
- 1-Methoxy-2,4,6-trinitrobenzene
- NSC 36950
- Trinitroanisol
- TNA
Work with Trinitroanisole
Similar compounds
4-tert-Butyl-2,6-dinitroanisole77055-30-265 % similar
1,3-Dichloro-2-methoxy-5-nitrobenzene17742-69-764 % similar
2,4-Dinitroanisole119-27-762 % similar
1-Methoxy-3,5-dinitrobenzene5327-44-661 % similar
TNT118-96-758 % similar
1,2-Dimethoxy-4,5-dinitrobenzene3395-03-758 % similar
1,3,6,8-Tetranitronaphthalene28995-89-355 % similar
4-Bromo-2-fluoro-6-nitroanisole74266-66-354 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.