2-Methyl-3,5-dinitrobenzoic acid
Properties
- Molecular formula
- C8H6N2O6
- Molar mass
- 226.14 g/mol
- Exact mass
- 226.0226 Da
- Melting point
- 205–206 °C
- logP
- 1.51Crippen estimate
- Polar surface area
- 123.6 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 41 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
28169-46-2SMILES
Cc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]InChIKey
CDVNZMKTJIBBBV-UHFFFAOYSA-NInChI
InChI=1S/C8H6N2O6/c1-4-6(8(11)12)2-5(9(13)14)3-7(4)10(15)16/h2-3H,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzoic acid, 2-methyl-3,5-dinitro-
- o-Toluic acid, 3,5-dinitro-
- 3,5-Dinitro-o-toluic acid
- NSC 168527
- 3,5-Dinitro-2-methylbenzoic acid
Work with 2-Methyl-3,5-dinitrobenzoic acid
Similar compounds
Dinitolmide148-01-674 % similar
5-Fluoro-2-methyl-3-nitrobenzoic acid850462-64-573 % similar
5-Bromo-2-methyl-3-nitrobenzoic acid107650-20-471 % similar
3,5-Dinitrosalicylic acid609-99-468 % similar
2-Bromo-3,5-dinitrobenzoic acid116529-60-366 % similar
2-Chloro-3,5-dinitrobenzoic acid2497-91-866 % similar
2,4,6-Trinitrobenzoic acid129-66-865 % similar
2-Methyl-3-nitrobenzoic acid1975-50-463 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.