3-Nitrophthalic acid
Properties
- Molecular formula
- C8H5NO6
- Molar mass
- 211.13 g/mol
- Exact mass
- 211.0117 Da
- Melting point
- 214 °C (decomposes)
- logP
- 0.99Crippen estimate
- Polar surface area
- 117.7 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
Hazards
Danger
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage88.5% of notifiers
- H319 Causes serious eye irritation11.5% of notifiers
- H335 May cause respiratory irritation98.9% of notifiers
Aggregated from 87 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, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
603-11-2SMILES
O=C(O)c1cccc([N+](=O)[O-])c1C(=O)OInChIKey
KFIRODWJCYBBHY-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 1,2-Benzenedicarboxylic acid, 3-nitro-
- Phthalic acid, 3-nitro-
- 3-Nitro-1,2-benzenedicarboxylic acid
- m-Nitrophthalic acid
- o-Nitrophthalic acid
- NSC 3120
Reactions
Work with 3-Nitrophthalic acid
Similar compounds
2-Nitrobenzoic acid552-16-974 % similar
2-(Methoxycarbonyl)-6-nitrobenzoic acid21606-04-271 % similar
2-Chloro-3-nitrobenzoic acid3970-35-270 % similar
2-Chloro-6-nitrobenzoic acid5344-49-070 % similar
3-Nitrosalicylic acid85-38-170 % similar
2-Methyl-6-nitrobenzoic acid13506-76-868 % similar
2-Methyl-3-nitrobenzoic acid1975-50-468 % similar
2-Fluoro-3-nitrobenzoic acid317-46-468 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds