3-Chloro-4-nitroaniline
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
- H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled25% of notifiers
- H300 Fatal if swallowed12.5% of notifiers
- H301 Toxic if swallowed25% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H310 Fatal in contact with skin12.5% of notifiers
- H311 Toxic in contact with skin75% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation62.5% of notifiers
- H330 Fatal if inhaled12.5% of notifiers
- H331 Toxic if inhaled25% of notifiers
- H332 Harmful if inhaled50% of notifiers
- H373 May causes damage to organs through prolonged or repeated exposure37.5% of notifiers
- H411 Toxic to aquatic life with long lasting effects25% of notifiers
- H412 Harmful to aquatic life with long lasting effects12.5% of notifiers
- H413 May cause long lasting harmful effects to aquatic life12.5% of notifiers
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
825-41-2SMILES
C1=CC(=C(C=C1N)Cl)[N+](=O)[O-]InChIKey
LDSIOPGMLLPSSR-UHFFFAOYSA-NInChI
InChI=1S/C6H5ClN2O2/c7-5-3-4(8)1-2-6(5)9(10)11/h1-3H,8H2Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 3-Chloro-4-nitroaniline
Similar compounds
4-Chloro-3-nitroaniline635-22-375 % similar
3,4-Dinitroaniline610-41-368 % similar
4-Nitro-m-phenylenediamine5131-58-864 % similar
2,4-Dichloronitrobenzene611-06-364 % similar
2-Chloro-4-methyl-1-nitrobenzene38939-88-762 % similar
2-Chloro-4-fluoro-1-nitrobenzene2106-50-560 % similar
3-Fluoro-4-nitrobenzenamine2369-13-360 % similar
3-Methyl-4-nitroaniline611-05-260 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.
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