6-Chloro-4-nitro-o-toluidine

C₇H₇ClN₂O₂CAS 13852-51-2186.59 g/mol

Open in Covalent MOL file

Aryl halide Nitro Primary amine

Properties

Molecular formula: C₇H₇ClN₂O₂
Molar mass: 186.59 g/mol
Exact mass: 186.0196 Da
Melting point: 164 °C
logP: 2.14Crippen estimate
Polar surface area: 69.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

13852-51-2

SMILES

Cc1cc([N+](=O)[O-])c(Cl)cc1N

InChIKey

OKOSGBYZOWWAPH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

9 names

5-Chloro-2-methyl-4-nitrobenzenamine
Benzenamine, 5-chloro-2-methyl-4-nitro-
o-Toluidine, 5-chloro-4-nitro-
2-Methyl-4-nitro-5-chloroaniline
5-Chloro-2-methyl-4-nitroaniline
5-Chloro-4-nitro-o-toluidine
2-Amino-4-chloro-1-methyl-5-nitrobenzene
NSC 60116
(5-Chloro-2-methyl-4-nitrophenyl)amine

Work with 6-Chloro-4-nitro-o-toluidine

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

2,5-Dichloro-4-nitrobenzenamine6627-34-571 % similar 2,4-Dimethyl-5-nitroaniline2124-47-268 % similar 5-Chloro-2,4-dinitrotoluene51676-74-566 % similar 1-Chloro-5-fluoro-4-methyl-2-nitrobenzene18349-11-663 % similar 2-Amino-4-chloro-5-nitrophenol6358-07-263 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-163 % similar 4,5-Dimethyl-2-nitrobenzenamine6972-71-063 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-261 % similar

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

Same formula

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 5-Chloro-4-methyl-2-nitrobenzenamine7149-80-6 Ethyl 6-chloro-3-pyridazinecarboxylate75680-92-1 Methyl 5-chloro-6-methylpyrazine-2-carboxylate77168-85-5 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-4

Elsewhere

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