4-Chlorophenylhydroxylamine

HCID 69983CAS 823-86-9

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Basic information

Standard SMILES: ONc1ccc(Cl)cc1
InChIKey: VVQDMDRAUXFEND-UHFFFAOYSA-N
Molecular formula: C6H6ClNO
Average molar mass: 143.57 g/mol
Monoisotopic mass: 143.01379149

Overview

structure

Names & identifiers

Preferred name: 4-Chlorophenylhydroxylamine
IUPAC: N-(4-chlorophenyl)hydroxylamine
English name: 4-chlorophenylhydroxylamine
Molecular formula: C6H6ClNO
Molecular weight: 143.57

Names & synonyms

4-ChlorophenylhydroxylamineN-(4-Chlorophenyl)hydroxylamine823-86-9p-ChlorophenylhydroxylamineBenzenamine, 4-chloro-N-hydroxy-N-(p-Chlorophenyl)hydroxylamineHydroxylamine, N-(p-chlorophenyl)-G45NNF2MXZ4-chloro-N-hydroxybenzenamineN-hydroxy-4-chloranilineN-hydroxy-4-chloroanilineNSC-166794

Show more names

NSC-528511DTXSID20231677RefChem:912444DTXCID501541684-chloro-n-hydroxyanilinePhenacetin Impurity 6CCRIS 5064NSC 166794

Database identifiers

CAS: 823-86-9
PubChem CID: 69983
DTXSID: DTXSID20231677
ChEMBL: CHEMBL150465
UNII: G45NNF2MXZ
Nikkaji: J29.545K

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 81.1

Physicochemical properties

Melting point: 86 °C · 86 °C
Boiling point: 251.7 · 251.7±42.0 °C(Predicted)
Density: 1.409 · 1.409
pka: 8.3 · 8.30±0.70(Predicted)
FDA UNII: 45 NNF2MXZ · G45NNF2MXZ

Chemistry & industry

Applications · 1 item

Uses4-Chlorophenylhydroxylamine (CAS# 823-86-9) can be used as a reactant for characterization of chloronitrobenzene nitroreductase and hydroxylaminobenzene mutase genes in Pseudomonas putida ZWL73. In addtion, this compound can be used for synthesis of steroidal isoxazolidine derivatives, which are known for their anti-inflammatory and antiallergic properties.