3-Chloro-4-nitroaniline

C6H5ClN2O2CAS 825-41-2172.57 g/mol

H2NClN+OO−
Aryl halideNitroPrimary amine

Properties

Molecular formula
C6H5ClN2O2
Molar mass
172.57 g/mol
Exact mass
172.0040 Da
logP
1.83Crippen estimate
Polar surface area
69.2 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

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

Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P320, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number
825-41-2
SMILES
C1=CC(=C(C=C1N)Cl)[N+](=O)[O-]
InChIKey
LDSIOPGMLLPSSR-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2

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

Work with 3-Chloro-4-nitroaniline

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere