Nitroterephthalic acid
Properties
- Molecular formula
- C8H5NO6
- Molar mass
- 211.13 g/mol
- Exact mass
- 211.0117 Da
- Melting point
- 199 °C
- logP
- 0.99Crippen estimate
- Polar surface area
- 117.7 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
610-29-7SMILES
O=C(O)c1ccc(C(=O)O)c([N+](=O)[O-])c1InChIKey
QUMITRDILMWWBC-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO6/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15/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
8 names
- 1,4-Benzenedicarboxylic acid, 2-nitro-
- Terephthalic acid, nitro-
- 2-Nitro-1,4-benzenedicarboxylic acid
- 2-Nitroterephthalic acid
- 2-Nitrobenzene-1,4-dicarboxylic acid
- 2-Nitro-p-phthalic acid
- NSC 48124
- NSC 75848
Work with Nitroterephthalic acid
Similar compounds
3,4-Dinitrobenzoic acid528-45-076 % similar
4-Bromo-2-nitrobenzoic acid99277-71-173 % similar
2,4-Dinitrobenzoic acid610-30-072 % similar
Methyl hydrogen 2-nitroterephthalate35092-89-871 % similar
4-Fluoro-2-nitrobenzoic acid394-01-470 % similar
4-Hydroxy-3-nitrobenzoic acid616-82-070 % similar
4-Bromo-3-nitrobenzoic acid6319-40-070 % similar
4-Chloro-3-nitrobenzoic acid96-99-170 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds