N-Methyl-4-nitroaniline

C₇H₈N₂O₂CAS 100-15-2152.15 g/mol

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Nitro Secondary amine

Properties

Molecular formula: C₇H₈N₂O₂
Molar mass: 152.15 g/mol
Exact mass: 152.0586 Da
Density: 1.201 g/mL (at 155 °C)
Melting point: 152 °C
Water solubility: < 1 g/L (18.9 °C)
logP: 1.64Crippen estimate
Polar surface area: 55.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H331 Toxic if inhaled100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure98.2% of notifiers
H412 Harmful to aquatic life with long lasting effects17.9% of notifiers

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P403+P233, P405, P501

Identifiers

CAS number

100-15-2

SMILES

CNc1ccc([N+](=O)[O-])cc1

InChIKey

XIFJZJPMHNUGRA-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O2/c1-8-6-2-4-7(5-3-6)9(10)11/h2-5,8H,1H3

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Names and synonyms

13 names · show all

Benzenamine, N-methyl-4-nitro-
Aniline, N-methyl-p-nitro-
N-Methyl-4-nitrobenzenamine
N-Monomethyl-p-nitroaniline
N-Methyl-p-nitroaniline
p-(Methylamino)nitrobenzene
N-Methyl-p-nitraniline
4-Nitro-N-methylaniline
p-Nitro-N-methylaniline
4-(Methylamino)nitrobenzene
Methyl(4-nitrophenyl)amine
NSC 5390
N-(4-Nitrophenyl)-N-methylamine

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100-15-2. Each row opens the sheet with its composition and PDF.

N-Methyl-4-nitroaniline ≤ 100 %Fisher Scientific · 2025-12-21

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Work with N-Methyl-4-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

Similar compounds

1,4-Dinitrobenzene100-25-463 % similar (4-Nitrophenyl)hydrazine100-16-362 % similar 4,4'-Dinitrocarbanilide587-90-661 % similar 4-Nitrodiphenylamine836-30-658 % similar 4,4'-Dinitrophenylcarbazide622-69-558 % similar p-Nitrophenylhydrazine hydrochloride636-99-756 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-156 % similar 4-Nitrotoluene99-99-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Methyl-3-nitroaniline119-32-4 Methyl 2-aminopyridine-3-carboxylate14667-47-1 2,6-Dimethyl-3-nitropyridine15513-52-7 4,6-Dimethylpyrimidine-5-carboxylic acid157335-93-8 Methyl 4-aminopyridine-3-carboxylate16135-36-7 6-Amino-4-methyl-3-pyridinecarboxylic acid179555-11-4 1-Methyl-2-(2-nitroethenyl)-pyrrole3156-50-1 N-(Hydroxymethyl)nicotinamide3569-99-1

Elsewhere

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