N,N-Dimethyl-3-nitroaniline

C₈H₁₀N₂O₂CAS 619-31-8166.18 g/mol

Open in Covalent MOL file

Nitro Tertiary amine

Properties

Molecular formula: C₈H₁₀N₂O₂
Molar mass: 166.18 g/mol
Exact mass: 166.0742 Da
Melting point: 60.5 °C
Boiling point: 282.5 °C
logP: 1.66Crippen estimate
Polar surface area: 46.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled88.6% of notifiers
H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation90.9% of notifiers
H319 Causes serious eye irritation90.9% of notifiers
H332 Harmful if inhaled100% 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, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number

619-31-8

SMILES

CN(C)c1cccc([N+](=O)[O-])c1

InChIKey

CJDICMLSLYHRPT-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

8 names

Benzenamine, N,N-dimethyl-3-nitro-
Aniline, N,N-dimethyl-m-nitro-
N,N-Dimethyl-3-nitrobenzenamine
m-Nitro-N,N-dimethylaniline
N,N-Dimethyl-m-nitroaniline
1-(Dimethylamino)-3-nitrobenzene
3-Nitro-N,N-dimethylaniline
NSC 9814

Reactions

m-NITRODIMETHYLANILINE (Aniline, N,N-dimethyl-m-nitro-)product

Work with N,N-Dimethyl-3-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dinitrobenzene99-65-064 % similar 3-Nitrochlorobenzene121-73-359 % similar 3-Nitrotoluene99-08-158 % similar 1-Fluoro-3-nitrobenzene402-67-555 % similar 3-Nitrobiphenyl2113-58-853 % similar Bis(3-nitrophenyl) disulfide537-91-753 % similar 3-Nitrophenol554-84-753 % similar 1-Bromo-3-nitrobenzene585-79-553 % 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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