4-Chloro-2-methyl-6-nitroaniline

C₇H₇ClN₂O₂CAS 62790-50-5186.60 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
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
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 6 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

62790-50-5

SMILES

CC1=CC(=CC(=C1N)[N+](=O)[O-])Cl

InChIKey

QDSCDFKGUAONPC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Chloro-2-methyl-6-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

2,4-Dimethyl-6-nitroaniline1635-84-367 % similar 2,4-Dichloro-6-nitroaniline2683-43-467 % similar 4-Bromo-2-methyl-6-nitrobenzenamine77811-44-063 % similar 2-Bromo-4-chloro-6-nitrobenzenamine827-25-863 % similar 4-Methoxy-2-methyl-6-nitroaniline684237-54-560 % similar 4-Chloro-2-methyl-1-nitrobenzene5367-28-259 % similar 2-Methyl-6-nitroaniline570-24-159 % similar 4-Chloro-1-methyl-2-nitrobenzene89-59-859 % 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 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-pyrimidine-5-carboxylic acid ethyl ester89793-12-4

Elsewhere

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