6-Chloro-2,4-dinitroaniline

C6H4ClN3O4CAS 3531-19-9217.56 g/mol

H2NClN+OO−N+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H4ClN3O4
Molar mass
217.56 g/mol
Exact mass
216.9890 Da
Melting point
157 °C
logP
1.74Crippen estimate
Polar surface area
112.3 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)Health Hazard (GHS08)Environmental Hazard (GHS09)

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number
3531-19-9
SMILES
Nc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIKey
LHRIICYSGQGXSX-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClN3O4/c7-4-1-3(9(11)12)2-5(6(4)8)10(13)14/h1-2H,8H2

Weigh it out

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

Names and synonyms

5 names
  • Benzenamine, 2-chloro-4,6-dinitro-
  • Aniline, 2-chloro-4,6-dinitro-
  • 2-Chloro-4,6-dinitrobenzenamine
  • 2-Chloro-4,6-dinitroaniline
  • 2,4-Dinitro-6-chloroaniline

Work with 6-Chloro-2,4-dinitroaniline

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Elsewhere