2-Methoxy-5-nitroaniline

C₇H₈N₂O₃CAS 99-59-2168.15 g/mol

Open in Covalent MOL file

Ether Nitro Primary amine

Properties

Molecular formula: C₇H₈N₂O₃
Molar mass: 168.15 g/mol
Exact mass: 168.0535 Da
Density: 1.2068 g/mL (at 156 °C)
Melting point: 118 °C
Boiling point: 153–156 °C (at 1.45 Torr)
pKa: 2.49 (conjugate acid)
Water solubility: 115 mg/L
logP: 1.19Crippen estimate
Polar surface area: 78.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed12.2% of notifiers
H312 Harmful in contact with skin10.2% of notifiers
H315 Causes skin irritation81.6% of notifiers
H319 Causes serious eye irritation81.6% of notifiers
H332 Harmful if inhaled10.2% of notifiers
H335 May cause respiratory irritation79.6% of notifiers
H351 Suspected of causing cancer12.2% of notifiers

Aggregated from 49 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

99-59-2

SMILES

COc1ccc([N+](=O)[O-])cc1N

InChIKey

NIPDVSLAMPAWTP-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O3/c1-12-7-3-2-5(9(10)11)4-6(7)8/h2-4H,8H2,1H3

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Names and synonyms

15 names · show all

Benzenamine, 2-methoxy-5-nitro-
o-Anisidine, 5-nitro-
2-Methoxy-5-nitrobenzenamine
1-Amino-2-methoxy-5-nitrobenzene
5-Nitro-2-methoxyaniline
2-Amino-4-nitroanisole
5-Nitro-o-anisidine
3-Nitro-6-methoxyaniline
Azoamine scarlet K
2-Amino-1-methoxy-4-nitrobenzene
1-Methoxy-2-amino-4-nitrobenzene
4-Nitro-2-aminoanisole
NSC 5510
(2-Methoxy-5-nitrophenyl)amine
2-(Methyloxy)-5-nitroaniline

Work with 2-Methoxy-5-nitroaniline

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

2-Methoxy-5-nitroaniline hydrochloride67827-72-9Salt

Similar compounds

2-Methoxy-4-nitroaniline97-52-976 % similar 1,2-Dimethoxy-4-nitrobenzene709-09-173 % similar 5-Nitroguaiacol636-93-169 % similar 2,4-Dinitroanisole119-27-769 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-967 % similar 2-Fluoro-1-methoxy-4-nitrobenzene455-93-665 % similar 2-Chloro-1-methoxy-4-nitrobenzene4920-79-065 % similar 2-Bromo-1-methoxy-4-nitrobenzene5197-28-465 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-6-methyl-3-nitropyridine112163-03-8 2,4-Dihydroxybenzhydrazide13221-86-8 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-9 5-Methoxy-2-nitrobenzenamine16133-49-6 2-Methoxy-6-nitrobenzenamine16554-45-3 2-Hydroxymethyl-3-methyl-4-nitropyridine168167-49-5 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5

Elsewhere

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