4-Methyl-3-nitroaniline

C₇H₈N₂O₂CAS 119-32-4152.15 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₇H₈N₂O₂
Molar mass: 152.15 g/mol
Exact mass: 152.0586 Da
Density: 1.312 g/mL
Melting point: 45.5 °C
Flash point: 157.2 °C
Water solubility: < 1 g/L (22.2 °C)
logP: 1.49Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed96.7% of notifiers
H311 Toxic in contact with skin98.9% of notifiers
H331 Toxic if inhaled97.8% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure96.7% of notifiers
H411 Toxic to aquatic life with long lasting effects96.7% of notifiers

Aggregated from 90 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, P391, P403+P233, P405, P501

Identifiers

CAS number

119-32-4

SMILES

Cc1ccc(N)cc1[N+](=O)[O-]

InChIKey

GDIIPKWHAQGCJF-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O2/c1-5-2-3-6(8)4-7(5)9(10)11/h2-4H,8H2,1H3

Weigh it out

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

Names and synonyms

13 names · show all

Benzenamine, 4-methyl-3-nitro-
p-Toluidine, 3-nitro-
4-Methyl-3-nitrobenzenamine
3-Nitro-4-methylaniline
2-Nitro-4-aminotoluene
3-Nitro-p-toluidine
4-Amino-2-nitrotoluene
m-Nitro-p-toluidine
5-Nitro-4-toluidine
3-Nitro-4-toluidine
1-Amino-3-nitro-4-methylbenzene
NSC 7731
4-Methyl-3-nitrophenylamine

Work with 4-Methyl-3-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

3-Methyl-4-nitroaniline611-05-281 % similar 3,4-Dinitroaniline610-41-368 % similar 2,4-Dinitrotoluene121-14-264 % similar 2,4-Dimethyl-5-nitroaniline2124-47-264 % similar 2-Nitro-4-phenylenediamine5307-14-264 % similar 1,4-Dimethyl-2-nitrobenzene89-58-764 % similar 4-Iodo-2-nitrotoluene41252-97-562 % similar 4-Fluoro-1-methyl-2-nitrobenzene446-10-662 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Methyl-4-nitroaniline100-15-2 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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