2-Amino-4-chloro-6-nitrophenol

C6H5ClN2O3CAS 6358-08-3188.57 g/mol

Open in Covalent MOL file
NH2ClN+OO−HO
Aryl halideNitroPhenolPrimary amine

Properties

Molecular formula
C6H5ClN2O3
Molar mass
188.57 g/mol
Exact mass
187.9989 Da
Melting point
152.2 °C
logP
1.54Crippen estimate
Polar surface area
89.4 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number
6358-08-3
SMILES
Nc1cc(Cl)cc([N+](=O)[O-])c1O
InChIKey
MHAFRUMLQZZSIN-UHFFFAOYSA-N
InChI
InChI=1S/C6H5ClN2O3/c7-3-1-4(8)6(10)5(2-3)9(11)12/h1-2,10H,8H2

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Names and synonyms

1 names
  • Phenol, 2-amino-4-chloro-6-nitro-

Work with 2-Amino-4-chloro-6-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

5,5'-Dichloro-3,3'-dinitro(1,1'-biphenyl)-2,2'-diol10331-57-469 % similar 2,4-Dichloro-6-nitrophenol609-89-267 % similar Picramic acid96-91-367 % similar 2-Amino-4-methyl-6-nitrophenol6265-07-263 % similar 5-Chloro-2-nitroaniline1635-61-659 % similar 4-Chloro-2-nitroaniline89-63-459 % similar 5-Chloro-2-hydroxy-3-nitrobenzoic acid7195-78-057 % similar 3-Amino-4-hydroxy-5-nitrobenzenesulfonic acid96-93-557 % 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-5-nitrophenol6358-07-2 2-Amino-6-chloro-4-nitrophenol6358-09-4

Elsewhere

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