chempirical

N,N-Dimethyl-4-nitroaniline

C8H10N2O2CAS 100-23-2166.18 g/mol

Open in Covalent MOL file
NN+OO−
NitroTertiary amine

Properties

Molecular formula
C8H10N2O2
Molar mass
166.18 g/mol
Exact mass
166.0742 Da
Melting point
164 °C
logP
1.66Crippen estimate
Polar surface area
46.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
100-23-2
SMILES
CN(C)c1ccc([N+](=O)[O-])cc1
InChIKey
QJAIOCKFIORVFU-UHFFFAOYSA-N
InChI
InChI=1S/C8H10N2O2/c1-9(2)7-3-5-8(6-4-7)10(11)12/h3-6H,1-2H3

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Names and synonyms

12 names
  • Benzenamine, N,N-dimethyl-4-nitro-
  • Aniline, N,N-dimethyl-p-nitro-
  • N,N-Dimethyl-4-nitrobenzenamine
  • N,N-Dimethyl-p-nitroaniline
  • 4-Nitrodimethylaniline
  • p-Nitrodimethylaniline
  • p-Nitro-N,N-dimethylaniline
  • p-(Dimethylamino)nitrobenzene
  • 1-(Dimethylamino)-4-nitrobenzene
  • 4-(Dimethylamino)nitrobenzene
  • 4-Nitro-N,N-dimethylaniline
  • NSC 9815

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100-23-2. Each row opens the sheet with its composition and PDF.

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Work with N,N-Dimethyl-4-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

4-Nitro-N,N-bis(4-nitrophenyl)benzenamine20440-93-167 % similar N,N-Dimethyl-3-nitroaniline619-31-865 % similar 1,4-Dinitrobenzene100-25-463 % similar N,N-Diethyl-4-nitrobenzenamine2216-15-159 % similar 1-Methyl-4-(4-nitrophenyl)piperazine16155-03-659 % similar 4-Nitrotriphenylamine4316-57-858 % similar 4,4'-Dinitro-1,1'-biphenyl1528-74-156 % similar 4-Nitrochlorobenzene100-00-555 % similar

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

Same formula

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 Methyl 2-(6-aminopyridin-3-yl)acetate174891-02-2

Elsewhere

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