3-Methyl-4-nitroaniline

C₇H₈N₂O₂CAS 611-05-2152.15 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
Melting point: 109 °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 swallowed100% of notifiers
H311 Toxic in contact with skin100% of notifiers
H315 Causes skin irritation16.7% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H331 Toxic if inhaled100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure83.3% of notifiers
H411 Toxic to aquatic life with long lasting effects83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

611-05-2

SMILES

Cc1cc(N)ccc1[N+](=O)[O-]

InChIKey

XPAYEWBTLKOEDA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 3-methyl-4-nitro-
m-Toluidine, 4-nitro-
3-Methyl-4-nitrobenzenamine
1-Amino-3-methyl-4-nitrobenzene
4-Nitro-m-toluidine
6-Nitro-3-aminotoluene
5-Amino-2-nitrotoluene
4-Nitro-3-methylaniline
NSC 17041
3-Methyl-4-nitrophenylamine
2-Methyl-4-aminonitrobenzene

Work with 3-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

3,4-Dinitroaniline610-41-368 % similar 4-Nitro-m-phenylenediamine5131-58-864 % similar 4-Nitro-m-xylene89-87-264 % similar 3-Fluoro-4-nitrobenzenamine2369-13-360 % similar 3-Methyl-4-nitrophenol2581-34-260 % similar 4-Fluoro-2-methyl-1-nitrobenzene446-33-360 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-260 % similar 3-Chloro-4-nitroaniline825-41-260 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Methyl-4-nitroaniline100-15-2 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

Elsewhere

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