chempirical

4-Chloro-2-nitroaniline

C6H5ClN2O2CAS 89-63-4172.57 g/mol

Open in Covalent MOL file
H2NClN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
Melting point
116–117 °C
Boiling point
135–137 °C
logP
1.83Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
89-63-4
SMILES
Nc1ccc(Cl)cc1[N+](=O)[O-]
InChIKey
PBGKNXWGYQPUJK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2

Weigh it out

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

Names and synonyms

28 names · show all
  • Benzenamine, 4-chloro-2-nitro-
  • Aniline, 4-chloro-2-nitro-
  • 4-Chloro-2-nitrobenzenamine
  • Azoene fast red 3GL base
  • p-Chloro-o-nitroaniline
  • Daito red base 3GL
  • Devol red F
  • Diazo fast red 3GL
  • Fast red 2NC base
  • Fast red 3GL base
  • Fast red base 3JL
  • Fast red 3GL special base
  • Hiltonil fast red 3GL base
  • Kayaku fast red 3GL base
  • Mitsui red 3GL base
  • Naphthanil red 3G base
  • Naphtoelan fast red 3GL base
  • PCON
  • PCONA
  • Red 3G base
  • Red base ciba VI
  • Red base 3GL
  • Red base irga VI
  • Shinnippon fast red 3GL base
  • 2-Nitro-4-chloroaniline
  • 1-Amino-2-nitro-4-chlorobenzene
  • NSC 3546
  • (4-Chloro-2-nitrophenyl)amine

Work with 4-Chloro-2-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

4-Chloro-1,2-dinitrobenzene610-40-268 % similar Nitro-P-phenylenediamine5307-14-264 % similar 1,4-Dichloro-2-nitrobenzene89-61-264 % similar 2,4-Dinitroaniline97-02-964 % similar 4-Fluoro-2-nitroaniline364-78-362 % similar 4-Iodo-2-nitrobenzenamine20691-72-960 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-660 % similar 1-Bromo-4-chloro-2-nitrobenzene41513-04-660 % similar

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

Same formula

Methyl 6-chloropyridazine-4-carboxylate1093860-48-0 5-Chloro-2-methyl-3-nitropyridine1211533-93-5 2-Chloro-4-nitroaniline121-87-9 Methyl 2-chloropyrimidine-4-carboxylate149849-94-5 5-Chloro-2-nitroaniline1635-61-6 2-Chloro-3-methyl-5-nitropyridine22280-56-4 6-Chloro-2-methyl-3-nitropyridine22280-60-0 2-Chloro-4-methyl-5-nitropyridine23056-33-9

Elsewhere

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