ChemicalBook--->CAS DataBase List--->364-76-1

364-76-1

364-76-1 Structure

364-76-1 Structure
IdentificationMore
[Name]

4-Fluoro-3-nitroaniline
[CAS]

364-76-1
[Synonyms]

3-NITRO-4-FLUOROANILINE
4-FLUORO-3-NITROANILINE
4-fluoro-3-nitro-benzamine
4-FLUORO-3-NITRO-PHENYLAMINE
5-AMINO-2-FLUORONITROBENZENE
4-F-3NA
4-fluoro-3-nitro-anilin
4-fluoro-3-nitro-benzenamin
4-Fluoro-3-nitrobenzenamine
Aniline, 4-fluoro-3-nitro-
Benzenamine, 4-fluoro-3-nitro-
4-Fluoro-3-nitroaniline98%
4-Fluor-3-nitroanilin
4-Fluoro-3-phenylnitramine
4-FLUORO-3-NITROANILINE ( DRY )
[EINECS(EC#)]

206-665-5
[Molecular Formula]

C6H5FN2O2
[MDL Number]

MFCD00007833
[Molecular Weight]

156.11
[MOL File]

364-76-1.mol
Chemical PropertiesBack Directory
[Appearance]

whitetolightyellowcrystalpowde
[Melting point ]

94-96 °C (lit.)
[Boiling point ]

331.3±22.0 °C(Predicted)
[density ]

0.43 g/cm3 (20℃)
[Fp ]

196 °F
[storage temp. ]

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

Powder
[pka]

2.36±0.10(Predicted)
[color ]

Ochre
[Water Solubility ]

Insoluble
[BRN ]

2210199
[InChI]

InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
[InChIKey]

LLIOADBCFIXIEU-UHFFFAOYSA-N
[SMILES]

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

364-76-1(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzenamine, 4-fluoro-3-nitro-(364-76-1)
[EPA Substance Registry System]

364-76-1(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn,Xi
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
[Safety Statements ]

S36/37:Wear suitable protective clothing and gloves .
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

2
[RTECS ]

BY1700000
[Hazard Note ]

Irritant
[TSCA ]

T
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29214210
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

4-Fluoro-3-nitroaniline(364-76-1).msds
Hazard InformationBack Directory
[Chemical Properties]

whitetolightyellowcrystalpowde
[Uses]

4-Fluoro-3-nitroaniline was used in the preparation of commercial hair dyes.
[Uses]

4-Fluoro-3-nitroaniline is used in the preparation of commercial hair dyes. It is an important raw material and intermediate used in Organic Synthesis, Pharmaceuticals, Agrochemicals.
[Definition]

ChEBI:4-fluoro-3-nitroaniline is a nitroaniline and an organofluorine compound.
[Synthesis]

2,4-Dinitrofluorobenzene

70-34-8

4-Fluoro-3-nitroaniline

364-76-1

2-Fluoro-5-nitroaniline

369-36-8

Example 43: General procedure for the synthesis of 4-fluoro-3-nitroaniline and 2-fluoro-5-nitroaniline from 2,4-dinitrofluorobenzene. A hydrogenation reaction was carried out according to the method described in Example 25 using 5% rhodium/alumina as a catalyst. This was done as follows: 18.61 g (0.10 mol) of 2,4-dinitrofluorobenzene was dissolved in a solvent mixture of 100 ml of glacial acetic acid and 100 ml of anhydrous ethanol in the presence of an alumina hydrogenation catalyst containing 0.50 g of rhodium. The hydrogen pressure was maintained at 370 psi during the reaction and the reaction time was 2 hours. Upon completion of the reaction, the product was separated by column chromatography to afford 2.79 g of 2-fluoro-5-nitroaniline in 17.6% yield. In addition, 0.85 g of 4-fluoro-3-nitroaniline was recovered as a second fraction.

[References]

[1] Tetrahedron Letters, 1990, vol. 31, # 43, p. 6141 - 6144
[2] Tetrahedron Letters, 1990, vol. 31, # 43, p. 6141 - 6144
[3] Patent: US5105012, 1992, A
[4] Recueil des Travaux Chimiques des Pays-Bas, 1946, vol. 65, p. 329,330
[5] Russian Journal of General Chemistry, 2006, vol. 76, # 1, p. 76 - 81
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluoro-3-nitroaniline(364-76-1)MS
4-Fluoro-3-nitroaniline(364-76-1)1HNMR
4-Fluoro-3-nitroaniline(364-76-1)13CNMR
4-Fluoro-3-nitroaniline(364-76-1)IR1
4-Fluoro-3-nitroaniline(364-76-1)IR2
4-Fluoro-3-nitroaniline(364-76-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

4-Fluoro-3-nitroaniline, 99%(364-76-1)
[Alfa Aesar]

4-Fluoro-3-nitroaniline, 98%(364-76-1)
[Sigma Aldrich]

364-76-1(sigmaaldrich)
[TCI AMERICA]

4-Fluoro-3-nitroaniline,>98.0%(GC)(364-76-1)
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