2-Cyano-4-nitroaniline

C7H5N3O2CAS 17420-30-3163.14 g/mol

Open in Covalent MOL file
NN+OO−H2N
NitrileNitroPrimary amine

Properties

Molecular formula
C7H5N3O2
Molar mass
163.14 g/mol
Exact mass
163.0382 Da
Melting point
209 °C
logP
1.05Crippen estimate
Polar surface area
93.0 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 16 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
17420-30-3
SMILES
N#Cc1cc([N+](=O)[O-])ccc1N
InChIKey
MGCGMYPNXAFGFA-UHFFFAOYSA-N
InChI
InChI=1S/C7H5N3O2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,9H2

Weigh it out

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

Names and synonyms

8 names
  • Benzonitrile, 2-amino-5-nitro-
  • Anthranilonitrile, 5-nitro-
  • 2-Amino-5-nitrobenzonitrile
  • 5-Nitroanthranilonitrile
  • 2-Cyano-5-nitroaniline
  • 4-Nitro-2-cyanoaniline
  • o-Cyano-p-nitroaniline
  • 5-Nitro-2-aminobenzonitrile

Work with 2-Cyano-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-Nitrophthalonitrile31643-49-971 % similar 2-Bromo-5-nitrobenzonitrile134604-07-263 % similar 2-Chloro-5-nitrobenzonitrile16588-02-663 % similar 2-Fluoro-5-nitrobenzonitrile17417-09-363 % similar 2-Hydroxy-4-nitrobenzonitrile39835-14-863 % similar 2-Methyl-5-nitrobenzonitrile939-83-363 % similar 4-Nitro-1,2-phenylenediamine99-56-962 % similar 2-Chloro-4-nitrobenzonitrile28163-00-059 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Nitro-1H-pyrrolo[2,3-B]pyridine101083-92-5 1H-Pyrazolo[3,4-B]pyridine-3-carboxylicacid(9ci)116855-08-4 Imidazo(1,2-b)pyridazine-2-carboxylic acid160911-42-2 3-Nitro-7-azaindole23709-47-9 Benzotriazole-5-carboxylic acid23814-12-2 6-Nitroimidazo[1,2-A]pyridine25045-82-3 Pyrazolo[1,5-A]pyrimidine-3-carboxylic acid25940-35-6 3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine28230-32-2

Elsewhere

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