2-Amino-4-nitrophenol

C₆H₆N₂O₃CAS 99-57-0154.13 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: 145–147 °C
pKa: 3.1, 7.6
Flash point: 100 °C
Water solubility: 925 mg/L (23 °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 swallowed97.8% of notifiers
H312 Harmful in contact with skin92.4% of notifiers
H315 Causes skin irritation94.3% of notifiers
H319 Causes serious eye irritation99.4% of notifiers
H332 Harmful if inhaled92.4% of notifiers
H335 May cause respiratory irritation94.3% of notifiers
H351 Suspected of causing cancer92.6% of notifiers

Aggregated from 2,184 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

99-57-0

SMILES

Nc1cc([N+](=O)[O-])ccc1O

InChIKey

VLZVIIYRNMWPSN-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

10 names

Phenol, 2-amino-4-nitro-
C.I. 76530
p-Nitro-o-aminophenol
4-Nitro-2-aminophenol
2-Hydroxy-5-nitroaniline
4-Nitro-2-amino-1-hydroxybenzene
1-Amino-2-hydroxy-5-nitrobenzene
1-Hydroxy-2-amino-4-nitrobenzene
5-Nitro-2-hydroxyaniline
NSC 4664

Reactions

2-AMINO-4-NITROPHENOL (Phenol, 2-amino-4-nitro-)product

Work with 2-Amino-4-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-Nitrocatechol3316-09-473 % similar 2,5-Dinitrophenol329-71-564 % similar 2,4-Dinitrophenol51-28-564 % similar 2-Fluoro-5-nitrobenzenamine369-36-860 % similar 2-Methyl-5-nitrophenol5428-54-660 % similar 2-Bromo-4-nitrophenol5847-59-660 % similar Nitrofungin619-08-960 % similar 2-Chloro-5-nitrophenol619-10-360 % 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 3-Hydroxy-6-methyl-2-nitropyridine15128-90-2 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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