4,5-Dimethyl-2-nitrobenzenamine

C₈H₁₀N₂O₂CAS 6972-71-0166.18 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₈H₁₀N₂O₂
Molar mass: 166.18 g/mol
Exact mass: 166.0742 Da
Melting point: 140 °C
logP: 1.79Crippen 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 skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 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

6972-71-0

SMILES

Cc1cc(N)c([N+](=O)[O-])cc1C

InChIKey

PINGKGKKUSYUAW-UHFFFAOYSA-N

InChI

InChI=1S/C8H10N2O2/c1-5-3-7(9)8(10(11)12)4-6(5)2/h3-4H,9H2,1-2H3

Weigh it out

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

Names and synonyms

8 names

Benzenamine, 4,5-dimethyl-2-nitro-
3,4-Xylidine, 6-nitro-
4,5-Dimethyl-2-nitroaniline
2-Nitro-4,5-dimethylaniline
6-Nitro-3,4-dimethylaniline
3,4-Dimethyl-6-nitroaniline
NSC 62010
1-Amino-3,4-dimethyl-6-nitrobenzene

Work with 4,5-Dimethyl-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

5-Chloro-4-methyl-2-nitrobenzenamine7149-80-673 % similar 4-Bromo-5-methyl-2-nitroaniline827-32-773 % similar 2,4-Dimethyl-5-nitroaniline2124-47-268 % similar 6-Chloro-4-nitro-o-toluidine13852-51-263 % similar 5-Methyl-2-nitroaniline578-46-159 % similar 4-Methyl-2-nitroaniline89-62-359 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-158 % similar 4,5-Difluoro-2-nitroaniline78056-39-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N,N-Dimethyl-4-nitroaniline100-23-2 2,3-Diaminobenzoic acid methyl ester107582-20-7 Ethyl 2-aminopyridine-3-carboxylate13362-26-0 Ethyl 2-aminopyridine-4-carboxylate13362-30-6 Ethyl 3-aminoisonicotinate14208-83-4 2,4-Dimethyl-6-nitroaniline1635-84-3 Beta-(2-pyridyl)-dl-alanine17407-39-5 3-Amino-4-methoxybenzamide17481-27-5

Elsewhere

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