3-Hydroxy-4-nitrobenzoic acid

C₇H₅NO₅CAS 619-14-7183.12 g/mol

Open in Covalent MOL file

Carboxylic acid Nitro Phenol

Properties

Molecular formula: C₇H₅NO₅
Molar mass: 183.12 g/mol
Exact mass: 183.0168 Da
Melting point: 229–231 °C
logP: 1.00Crippen estimate
Polar surface area: 100.7 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed15.9% of notifiers
H315 Causes skin irritation85.7% of notifiers
H317 May cause an allergic skin reaction14.3% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation71.4% of notifiers
H351 Suspected of causing cancer14.3% of notifiers
H400 Very toxic to aquatic life14.3% of notifiers

Aggregated from 63 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

619-14-7

SMILES

O=C(O)c1ccc([N+](=O)[O-])c(O)c1

InChIKey

XLDLRRGZWIEEHT-UHFFFAOYSA-N

InChI

InChI=1S/C7H5NO5/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,9H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Benzoic acid, 3-hydroxy-4-nitro-
4-Nitro-3-hydroxybenzoic acid
3-Carboxy-6-nitrophenol
NSC 46823

Work with 3-Hydroxy-4-nitrobenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,4-Dinitrobenzoic acid528-45-074 % similar 3-Bromo-4-nitrobenzoic acid101420-81-967 % similar 3-Methyl-4-nitrobenzoic acid3113-71-167 % similar 3-Chloro-4-nitrobenzoic acid39608-47-467 % similar 3-Fluoro-4-nitrobenzoic acid403-21-467 % similar 3-Amino-4-nitrobenzoic acid6968-22-567 % similar Nitroterephthalic acid610-29-766 % similar 4-Bromo-3-nitrobenzoic acid6319-40-064 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydroxy-5-nitrobenzaldehyde116313-85-0 Chelidamic acid138-60-3 3-Hydroxy-2-nitrobenzoic acid602-00-6 5-Hydroxy-2-nitrobenzoic acid610-37-7 4-Hydroxy-3-nitrobenzoic acid616-82-0 2-Hydroxy-4-nitrobenzoic acid619-19-2 3-(5-Nitro-2-furyl)acrylic acid6281-23-8 3-Nitrosalicylic acid85-38-1

Elsewhere

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