5-Methyl-2-nitroaniline

C₇H₈N₂O₂CAS 578-46-1152.15 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: 133 °C
Water solubility: < 1 g/L (22.8 °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
H331 Toxic if inhaled100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers
H411 Toxic to aquatic life with long lasting effects100% of notifiers

Aggregated from 45 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

578-46-1

SMILES

Cc1ccc([N+](=O)[O-])c(N)c1

InChIKey

IGDYNWKWXUCIJB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

13 names · show all

Benzenamine, 5-methyl-2-nitro-
m-Toluidine, 6-nitro-
5-Methyl-2-nitrobenzenamine
4-Nitro-3-aminotoluene
5-Methyl-o-nitroaniline
3-Amino-4-nitrotoluene
1-Amino-3-methyl-6-nitrobenzene
6-Nitro-m-toluidine
2-Nitro-5-methylaniline
3-Methyl-6-nitroaniline
NSC 28586
NSC 404025
(5-Methyl-2-nitrophenyl)amine

Work with 5-Methyl-2-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

4-Methyl-2-nitroaniline89-62-375 % similar 3,4-Dinitrotoluene610-39-968 % similar 4-Nitro-m-phenylenediamine5131-58-864 % similar 4-Nitro-m-xylene89-87-264 % similar 5-Methoxy-2-nitrobenzenamine16133-49-663 % similar 2-Chloro-4-methyl-1-nitrobenzene38939-88-762 % similar 2-Methoxy-4-methyl-1-nitrobenzene38512-82-261 % similar 5-Chloro-2-nitroaniline1635-61-660 % 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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