5-Nitroisophthalic acid
Properties
- Molecular formula
- C8H5NO6
- Molar mass
- 211.13 g/mol
- Exact mass
- 211.0117 Da
- Melting point
- 255–256 °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 irritation88.5% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation91.2% of notifiers
Aggregated from 113 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
618-88-2SMILES
O=C(O)c1cc(C(=O)O)cc([N+](=O)[O-])c1InChIKey
NBDAHKQJXVLAID-UHFFFAOYSA-NInChI
InChI=1S/C8H5NO6/c10-7(11)4-1-5(8(12)13)3-6(2-4)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
6 names
- 1,3-Benzenedicarboxylic acid, 5-nitro-
- Isophthalic acid, 5-nitro-
- 5-Nitro-1,3-benzenedicarboxylic acid
- 1-Nitrobenzene-3,5-dicarboxylic acid
- 5-Nitro-m-phthalic acid
- NSC 66545
Work with 5-Nitroisophthalic acid
Similar compounds
3,5-Dinitrobenzoic acid99-34-393 % similar
3-Bromo-5-nitrobenzoic acid6307-83-178 % similar
3-Fluoro-5-nitrobenzoic acid14027-75-976 % similar
3-Amino-5-nitrobenzoic acid618-84-876 % similar
1-Methyl 5-nitro-1,3-benzenedicarboxylate1955-46-072 % similar
3-Carboxy-5-nitrophenylboronic acid101084-81-571 % similar
3-Nitro-5-(trifluoromethyl)benzoic acid328-80-371 % similar
3-Nitrobenzoic acid121-92-670 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds