5-Chloro-4-methyl-2-nitrobenzenamine

C₇H₇ClN₂O₂CAS 7149-80-6186.60 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₇H₇ClN₂O₂
Molar mass: 186.60 g/mol
Exact mass: 186.0196 Da
Melting point: 167–168 °C
logP: 2.14Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

7149-80-6

SMILES

Cc1cc([N+](=O)[O-])c(N)cc1Cl

InChIKey

BBWHBSDZHSQECL-UHFFFAOYSA-N

InChI

InChI=1S/C7H7ClN2O2/c1-4-2-7(10(11)12)6(9)3-5(4)8/h2-3H,9H2,1H3

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Names and synonyms

6 names

Benzenamine, 5-chloro-4-methyl-2-nitro-
5-Chloro-2-nitro-p-toluidine
5-Chloro-4-methyl-2-nitroaniline
NSC 72334
5-Chloro-4-methyl-1-amino-2-nitrobenzene
4-Amino-2-chloro-5-nitrotoluene

Work with 5-Chloro-4-methyl-2-nitrobenzenamine

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

4,5-Dichloro-2-nitrobenzenamine6641-64-173 % similar 4,5-Dimethyl-2-nitrobenzenamine6972-71-073 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-271 % similar 5-Chloro-4-fluoro-2-nitrobenzenamine104222-34-663 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-363 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-561 % similar 4-Chloro-5-methyl-2-nitrophenol7147-89-959 % similar 4-Bromo-5-methyl-2-nitroaniline827-32-759 % similar

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

Same formula

6-Chloro-4-nitro-o-toluidine13852-51-2 4-Chloro-2,6-dimethyl-3-nitropyridine15513-48-1 Methyl 3-amino-2-chloroisonicotinate173435-41-1 4-Chloro-2-methyl-6-nitroaniline62790-50-5 2-Chloro-6-methyl-4-nitrobenzenamine69951-02-6 Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-1 Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-5 2-Chloro-pyrimidine-5-carboxylic acid ethyl ester89793-12-4

Elsewhere

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