Benzenamine, 4-fluoro-N-hydroxy-

HCID 164595

Notes Reactions

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Basic information

CAS: 406-00-8
Standard SMILES: ONc1ccc(F)cc1
InChIKey: YQSLFHVIKKSCEM-UHFFFAOYSA-N
Molecular formula: C6H6FNO
Average molar mass: 127.12 g/mol
Monoisotopic mass: 127.04334203

Names & identifiers

Preferred name: Benzenamine, 4-fluoro-N-hydroxy-
IUPAC: N-(4-fluorophenyl)hydroxylamine
English name: Cabozantinib impurity 23
Molecular formula: C6H6FNO
Molecular weight: 127.12

Names & synonyms

N-(4-fluorophenyl)hydroxylamine406-00-84-Fluoro-N-hydroxybenzenamineBenzenamine, 4-fluoro-N-hydroxy-DTXSID00193603RefChem:561891DTXCID00116094874-950-74-fluoro-n-hydroxyanilineN-(p-fluorophenyl)-hydroxylamine4-fluorophenylhydroxylamineN-p-fluorophenylhydroxylamine

Show more names

Cabozantinib Impurity 61Cabozantinib impurities2Cabozantinib impurities1371N-(4-fluorophenyl)hydroxylamine? (Cabozantinib Impurity）

SCHEMBL3713416N-(4-fluorophenyl) hydroxylamineYQSLFHVIKKSCEM-UHFFFAOYSA-NCS-0166293EN300-56288N-(4-fluorophenyl)hydroxylamine? (Cabozantinib Impurity

Database identifiers

CAS: 406-00-8
PubChem CID: 164595
DTXSID: DTXSID00193603
EC Number: 874-950-7
Nikkaji: J405.675B

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 32.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 81.1

Physicochemical properties

Boiling point: 212.2 · 212.2±42.0 °C(Predicted)
Density: 1.35 · 1.350±0.06 g/cm3(Predicted)
pka: 8.19 · 8.19±0.70(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 332 · H332-H302-H312-H315-H335-H319
Precautionary statements: 261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H332-H302-H312-H315-H335-H319
Precautionary statements: P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Applications

UsesN-(p-Fluorophenyl)-hydroxylamine, is a reactant used in various chemical synthesis, such as in preparation of spiro-isoxazoline and spiro-isoxazolidine derivatives of tomentosin.