2-Amino-4-chloro-5-nitrophenol

C₆H₅ClN₂O₃CAS 6358-07-2188.57 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol Primary amine

Properties

Molecular formula: C₆H₅ClN₂O₃
Molar mass: 188.57 g/mol
Exact mass: 187.9989 Da
Water solubility: < 100 mg/L (22.2 °C)
logP: 1.54Crippen estimate
Polar surface area: 89.4 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H312 Harmful in contact with skin97.5% of notifiers
H315 Causes skin irritation51.9% of notifiers
H319 Causes serious eye irritation98.7% of notifiers
H332 Harmful if inhaled97.5% of notifiers
H335 May cause respiratory irritation97.5% of notifiers
H411 Toxic to aquatic life with long lasting effects48.1% of notifiers

Aggregated from 79 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

6358-07-2

SMILES

Nc1cc(Cl)c([N+](=O)[O-])cc1O

InChIKey

ZARYBZGMUVAJMK-UHFFFAOYSA-N

InChI

InChI=1S/C6H5ClN2O3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H,8H2

Weigh it out

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

Names and synonyms

3 names

Phenol, 2-amino-4-chloro-5-nitro-
4-Chloro-5-nitro-2-aminophenol
NSC 7537

Work with 2-Amino-4-chloro-5-nitrophenol

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

2,4-Dichloro-5-nitrophenol39489-77-571 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-571 % similar 6-Chloro-4-nitro-o-toluidine13852-51-263 % similar 4,5-Dichloro-2-nitrobenzenamine6641-64-163 % similar 2-Chloro-5-nitro-1,4-benzenediamine26196-45-261 % similar 4,5-Dichloro-2-nitrophenol39224-65-258 % similar 1,3-Dichloro-4,6-dinitrobenzene3698-83-758 % similar 2,4,5-Trichloronitrobenzene89-69-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-6-methoxy-3-nitropyridine38533-61-8 6-Chloro-2-methoxy-3-nitropyridine40851-91-0 2-Amino-4-chloro-6-nitrophenol6358-08-3 2-Amino-6-chloro-4-nitrophenol6358-09-4

Elsewhere

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