ChemicalBook--->CAS DataBase List--->450-91-9

450-91-9

450-91-9 Structure

450-91-9 Structure
IdentificationBack Directory
[Name]

4-FLUORO-2-METHOXYANILINE
[CAS]

450-91-9
[Synonyms]

4-Fluoro-o-anisidine
o-Anisidine, 4-fluoro-
2-Amino-5-fluoroanisole
2-Methoxy-4-fluoroaniline
4-FLUORO-2-METHOXYANILINE
4-Fluoro-2-MethoxybenzenaMine
4-Fluoro-2-methoxyaniline 97%
4-Fluoro-2-methoxyaniline,95%
4-Fluoro-2-methoxy-phenylamine
Benzenamine, 4-fluoro-2-methoxy-
4-Fluoro-o-anisidine, 2-Amino-5-fluoroanisole
2-AMino-5-fluoroanisole[4-Fluoro-2-Methoxyaniline]
[EINECS(EC#)]

814-457-6
[Molecular Formula]

C7H8FNO
[MDL Number]

MFCD00077536
[MOL File]

450-91-9.mol
[Molecular Weight]

141.15
Chemical PropertiesBack Directory
[Boiling point ]

215℃ (756 Torr)
[density ]

1.176±0.06 g/cm3 (20 ºC 760 Torr)
[refractive index ]

1.5400 to 1.5440
[Fp ]

79.5±21.8℃
[storage temp. ]

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

Solid
[pka]

4.60±0.10(Predicted)
[color ]

Colorless to Brown
[InChI]

InChI=1S/C7H8FNO/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
[InChIKey]

BNRRMRUVYDETQC-UHFFFAOYSA-N
[SMILES]

C1(N)=CC=C(F)C=C1OC
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H302-H312-H315-H319-H331-H335
[Precautionary statements ]

P261-P280-P304+P340-P305+P351+P338-P405-P501a
[RIDADR ]

2810
[HazardClass ]

6.1
[PackingGroup ]

[HS Code ]

2921420090
Hazard InformationBack Directory
[Uses]

4-?Fluoro-?2-?methoxyaniline is a useful synthetic intermediate. It is used to prepare ortho-?substituted phenylureas as 5-?Hydroxytryptamine (5-?HT3) receptor antagonists. It is also used to synthesize hydroxamic acids and their prodrugs as inhibitors for Botulinum neurotoxin A light chain.
[Application]

4-Fluoro-2-methoxyaniline is a useful synthetic intermediate. It is used to prepare ortho-substituted phenylureas as 5-Hydroxytryptamine (5-HT3) receptor antagonists. It is also used to synthesize hydroxamic acids and their prodrugs as inhibitors for Botulinum neurotoxin A light chain.
[Synthesis]

Using 4-fluoro-2-o-methoxynitrobenzene as the starting material, the target compound 4-fluoro-2-methoxyaniline was prepared by hydrogenation reduction reaction.
4-FLUORO-2-METHOXYANILINE
[References]

[1] Patent: US6352993, 2002, B1. Location in patent: Page column 30
[2] Patent: CN106366072, 2017, A. Location in patent: Paragraph 0062; 0063; 0064; 0090; 0091; 0092
[3] Patent: CN106366022, 2017, A. Location in patent: Paragraph 0051; 0052; 0056
[4] Patent: US2011/130415, 2011, A1. Location in patent: Page/Page column 102
[5] Patent: WO2018/207120, 2018, A1. Location in patent: Page/Page column 11; 12
Spectrum DetailBack Directory
[Spectrum Detail]

4-FLUORO-2-METHOXYANILINE(450-91-9)1HNMR
4-FLUORO-2-METHOXYANILINE(450-91-9)FT-IR
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