CAS 84478-72-8 5-Amino-2-chloro-4-fluorophenol (HCID 158654)

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Basic information

CAS: 84478-72-8
Standard SMILES: Nc1cc(O)c(Cl)cc1F
InChIKey: AFZLCOLNTRPSIF-UHFFFAOYSA-N
Molecular formula: C6H5ClFNO
Average molar mass: 161.56 g/mol
Monoisotopic mass: 161.00436968

Names & identifiers

Preferred name: 5-Amino-2-chloro-4-fluorophenol
IUPAC: 5-amino-2-chloro-4-fluorophenol
English name: 5-Amino-2-chloro-4-fluorophenol
Molecular formula: C6H5ClFNO
Molecular weight: 161.56

Names & synonyms

5-amino-2-chloro-4-fluorophenolRefChem:53215284478-72-85-amino-2-chloro-4-fluoro-phenol5-amino-2-chloro-4-fluorobenzenol4-Chloro-2-fluoro-5-hydroxyanilineMFCD00055622Phenol, 5-amino-2-chloro-4-fluoro-2-Chloro-4-fluoro-5-aminophenol5-amino-2-chloro-4-fiuorophenol2-Chloro-4-fluoro-5-aminophenol; 2-Fluoro-4-chloro-5-hydroxyaniline; 4-Chloro-2-fluoro-5-hydroxyaniline;Oprea1_398840

Show more names

5-amino-2-chloro-4-fluoro-phenol ISO 9001：2015 REACH

SCHEMBL8264223-amino-6-chloro-4-fluorophenolDTXSID902334612-fluoro-4-chloro-5-hydroxyaniline4chloro-2-fluoro-5-hydroxy-anilineSBB0517934-chloro-2-fluoro-5-hydroxy-anilineAKOS005069503

Database identifiers

CAS: 84478-72-8
PubChem CID: 158654
DTXSID: DTXSID90233461
EC Number: 671-718-5
Nikkaji: J562.275A

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 46.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 124

Physicochemical properties

Melting point: 157 · 157-160°
Boiling point: 272 ℃ · 272℃
Density: 1.519 · 1.519
Flash point: 118 ℃ · 118℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
solubility: Chloroform (Slightly, Heated, Sonicated), Methanol (Slightly)
form: Solid
pka: 8.57 · 8.57±0.23(Predicted)
color: Dark Brown
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319
Precautionary statements: 305 · P305+P351+P338
HazardClass: IRRITANT
HS Code: 2922290090 · 2922290090

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)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

hs_code: 2922290090
Signal word: Warning
Symbol(GHS): GHS07
hazard_class: IRRITANT
Hazard statements: H302-H315-H319
Precautionary statements: P305+P351+P338

Chemistry & industry

Applications

Uses5-Amino-2-chloro-4-fluorophenol is a reagent involved in the design and structure of potent vascular endothelial growth factor (VEGF) receptor tyrosine kinase inhibitors.