Methyl hydrogen 2-nitroterephthalate
Properties
- Molecular formula
- C9H7NO6
- Molar mass
- 225.16 g/mol
- Exact mass
- 225.0273 Da
- Melting point
- 177–179 °C
- logP
- 1.08Crippen estimate
- Polar surface area
- 106.7 Ų
- H-bond donors / acceptors
- 1 / 5
- Rotatable bonds
- 3
Hazards
Warning
- H315 Causes skin irritation57.9% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation57.9% of notifiers
- H412 Harmful to aquatic life with long lasting effects40.8% of notifiers
Aggregated from 76 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
35092-89-8SMILES
COC(=O)c1ccc(C(=O)O)cc1[N+](=O)[O-]InChIKey
MIIADZYPHVTLPR-UHFFFAOYSA-NInChI
InChI=1S/C9H7NO6/c1-16-9(13)6-3-2-5(8(11)12)4-7(6)10(14)15/h2-4H,1H3,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 1-Methyl 2-nitro-1,4-benzenedicarboxylate
- 1,4-Benzenedicarboxylic acid, 2-nitro-, 1-methyl ester
- 4-Methoxycarbonyl-3-nitrobenzoic acid
- NSC 151109
- 2-Nitroterephthalic acid 1-methyl ester
- 1-Methyl 2-nitroterephthalate
- Methyl 4-carboxy-2-nitrobenzoate
- 1-Nitrobenzene-2-methyloxycarbonyl-5-carboxylic acid
Work with Methyl hydrogen 2-nitroterephthalate
Similar compounds
Dimethyl nitroterephthalate5292-45-578 % similar
Nitroterephthalic acid610-29-771 % similar
Methyl 4-fluoro-2-nitrobenzoate151504-81-364 % similar
2-Nitro-4-chlorobenzoic acid methyl ester42087-80-963 % similar
4-Methoxy-3-nitrobenzoic acid89-41-863 % similar
3,4-Dinitrobenzoic acid528-45-062 % similar
1-Methyl 2-aminoterephthalate60728-41-860 % similar
4-Methyl-3-nitrobenzoic acid96-98-060 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds