ChemicalBook--->CAS DataBase List--->399-95-1

399-95-1

399-95-1 Structure

399-95-1 Structure
IdentificationMore
[Name]

4-Amino-3-fluorophenol
[CAS]

399-95-1
[Synonyms]

3-FLUORO-4-AMINOPHENOL
4-AMINO-3-FLUOROPHENOL
4-BROMO-2,6-DIFLUOROPHENOL
BUTTPARK 33\04-79
IFLAB-BB F2108-0045
Aminofluorophenol3
4-Amino-3-Fluorophenol 3-Fluoro-4-Aminophenol
2-FLUORO-4-YDROXYANILINE
4-Amino-3-fluorophenol 98%
4-Amino-3-fluorophenol98%
4-AMINO-3-FLUOROPHENOL, 98% MIN.
[EINECS(EC#)]

402-230-0
[Molecular Formula]

C6H6FNO
[MDL Number]

MFCD00236213
[Molecular Weight]

127.12
[MOL File]

399-95-1.mol
Chemical PropertiesBack Directory
[Melting point ]

135-137°C
[Boiling point ]

270.4±25.0 °C(Predicted)
[density ]

1.347±0.06 g/cm3(Predicted)
[storage temp. ]

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

soluble in Methanol
[form ]

powder to crystal
[pka]

9.23±0.18(Predicted)
[color ]

Light yellow to Brown
[InChI]

InChI=1S/C6H6FNO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H,8H2
[InChIKey]

MNPLTKHJEAFOCA-UHFFFAOYSA-N
[SMILES]

C1(O)=CC=C(N)C(F)=C1
[CAS DataBase Reference]

399-95-1(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

4-Amino-3-fluorophenol is a compound that can be used in organic synthesis.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)Environment (GHS09)
GHS07,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H302-H317-H350-H411-H401
[Precautionary statements ]

P309-P310-P201-P202-P261-P264-P270-P272-P273-P280-P301+P312+P330-P302+P352+P333+P313+P363-P308+P313-P391-P405-P501
[Hazard Codes ]

T,Xi,N
[Risk Statements ]

R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
R45:May cause cancer.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment .
[Safety Statements ]

S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S53:Avoid exposure-obtain special instruction before use .
S61:Avoid release to the environment. Refer to special instructions safety data sheet .
[RIDADR ]

3077
[Hazard Note ]

Toxic
[REACH Registrations]

Active
[HazardClass ]

9
[PackingGroup ]

III
[HS Code ]

29222900
Raw materials And Preparation ProductsBack Directory
[Raw materials]

1-Fluoro-2-nitrobenzene-->Aluminium hydride-->3-Fluoro-4-nitrophenol-->Sodium bicarbonate-->Ethyl acetate-->Iron-->Acetic acid
[Preparation Products]

Flufenoxuron-->Regorafenib iMpurity-->4-(4-Amino-3-fluorophenoxy)-N-methylpicolinamide
Hazard InformationBack Directory
[Description]

4-amino-3-fluorophenol, a light yellow to brown power, is the raw material of a kind of application medicine, a pesticidal active substance very widely, is a fluorinated insecticide, Phenoxymethyl acetate esters, and benzo pyrrole ketone herbicide, the intermediate of antibacterial and hair dye, etc. Fluoro substituents in the 4-amino-3-fluorophenol molecule increase the lipophile of the whole molecule greatly, thus adding to the membrane permeability of this molecule so that it is suitable as the active component intermediate of some medicines.
4-Amino-3-fluorophenol
[Chemical Properties]

Dark Brown Solid
[Synthesis]

Using p-nitrophenol as raw material, after catalytic hydrogenation, a sulfonation reaction is performed first, and then a fluorine substitution reaction is performed to substitute the fluorine at the 3-position. Afterwards, a desulfonation reaction was carried out, and the target product 4-Amino-3-fluorophenol was obtained through extraction.
[References]

[1] Patent: US2005/277652, 2005, A1. Location in patent: Page/Page column 72-73
[2] Patent: WO2006/124118, 2006, A1. Location in patent: Page/Page column 74
[3] Patent: WO2005/9961, 2005, A2. Location in patent: Page/Page column 46
[4] Patent: WO2008/89388, 2008, A2. Location in patent: Page/Page column 16
[5] Patent: WO2008/89389, 2008, A2. Location in patent: Page/Page column 13
Spectrum DetailBack Directory
[Spectrum Detail]

4-Amino-3-fluorophenol(399-95-1)FT-IR
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