ChemicalBook--->CAS DataBase List--->4863-91-6

4863-91-6

4863-91-6 Structure

4863-91-6 Structure
IdentificationMore
[Name]

3-CHLORO-5-FLUOROANILINE
[CAS]

4863-91-6
[Synonyms]

3-CHLORO-5-FLUOROANILINE
BUTTPARK 44\01-96
3-Chloro-5-fluoroaniline98%
3-fluoro-5-chloroaniline
[Molecular Formula]

C6H5ClFN
[MDL Number]

MFCD03407962
[Molecular Weight]

145.56
[MOL File]

4863-91-6.mol
Chemical PropertiesBack Directory
[Appearance]

Clear orange liquid
[Boiling point ]

98C/19Torr
[density ]

1.45
[refractive index ]

1.561-1.563
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

Liquid
[pka]

2.52±0.10(Predicted)
[color ]

Clear light yellow to orange
[InChI]

1S/C6H5ClFN/c7-4-1-5(8)3-6(9)2-4/h1-3H,9H2
[InChIKey]

LPIFAHAICWJMRR-UHFFFAOYSA-N
[SMILES]

Nc1cc(F)cc(Cl)c1
[CAS DataBase Reference]

4863-91-6(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn,T
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
[RIDADR ]

2810
[WGK Germany ]

WGK 3
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[HazardClass ]

TOXIC
[HS Code ]

29214200
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Hazard InformationBack Directory
[Chemical Properties]

Clear orange liquid
[Uses]

3-Chloro-5-fluoroaniline(4863-91-6) is an aniline derivative with chlorine and fluorine substituents at positions 3 and 5, respectively, which can be used as a reagent for chemical reactions, as a raw material for organic synthesis, and as a component of pharmaceutical intermediates. It is widely used in the synthesis of active pharmaceutical ingredients (APIs), especially antiviral compounds against the influenza A (H1N1) virus. It is also used in the synthesis of glucocorticoid receptor agonists for the treatment of inflammation. In addition, the presence of chloro and fluorine substituents in 3-chloro-5-fluoroaniline allows for further functionalisation such as palladium-catalysed carbon-carbon coupling and nucleophilic aromatic substitution.
Spectrum DetailBack Directory
[Spectrum Detail]

3-CHLORO-5-FLUOROANILINE(4863-91-6)1HNMR
3-CHLORO-5-FLUOROANILINE(4863-91-6)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

3-Chloro-5-fluoroaniline, 97%(4863-91-6)
[Alfa Aesar]

3-Chloro-5-fluoroaniline, 97%(4863-91-6)
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