4-Amino-3-nitrophenol

C₆H₆N₂O₃CAS 610-81-1154.13 g/mol

Open in Covalent MOL file

Nitro Phenol Primary amine

Properties

Molecular formula: C₆H₆N₂O₃
Molar mass: 154.13 g/mol
Exact mass: 154.0378 Da
Melting point: 147–149 °C
logP: 0.88Crippen estimate
Polar surface area: 89.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed61.5% of notifiers
H315 Causes skin irritation56% of notifiers
H317 May cause an allergic skin reaction55% of notifiers
H319 Causes serious eye irritation66.1% of notifiers
H335 May cause respiratory irritation40.4% of notifiers

Aggregated from 109 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

610-81-1

SMILES

Nc1ccc(O)cc1[N+](=O)[O-]

InChIKey

IQXUIDYRTHQTET-UHFFFAOYSA-N

InChI

InChI=1S/C6H6N2O3/c7-5-2-1-4(9)3-6(5)8(10)11/h1-3,9H,7H2

Weigh it out

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

Names and synonyms

7 names

Phenol, 4-amino-3-nitro-
p-Hydroxy-o-nitroaniline
2-Nitro-4-hydroxyaniline
3-Nitro-4-aminophenol
4-Hydroxy-2-nitroaniline
2-Amino-5-hydroxynitrobenzene
NSC 400380

Work with 4-Amino-3-nitrophenol

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

4-Bromo-2-nitroaniline875-51-465 % similar 2-Nitro-4-phenylenediamine5307-14-264 % similar 2,4-Dinitroaniline97-02-964 % similar 4-Fluoro-2-nitroaniline364-78-362 % similar 4-Methyl-3-nitrophenol2042-14-060 % similar 4-Iodo-2-nitrobenzenamine20691-72-960 % similar 4-Fluoro-3-nitrophenol2105-96-660 % similar 4-Chloro-3-nitrophenol610-78-660 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitro-3-methylpyridine N-oxide1074-98-2 4-Amino-2-nitrophenol119-34-6 2-Amino-5-nitrophenol121-88-0 3-Acetyl-1H-pyrazole-5-carboxylic acid1297537-45-1 6-Methyl-2-nitropyridin-3-ol15128-90-2 2-Methoxy-3-nitropyridine20265-35-4 3-Methoxy-2-nitropyridine20265-37-6 2-Hydroxy-4-methyl-3-nitropyridine21901-18-8

Elsewhere

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