ChemicalBook--->CAS DataBase List--->367-29-3

367-29-3

367-29-3 Structure

367-29-3 Structure
IdentificationMore
[Name]

5-Fluoro-2-methylaniline
[CAS]

367-29-3
[Synonyms]

2-AMINO-4-FLUOROTOLUENE
2-METHYL-5-FLUOROANILINE
3-FLUORO-6-METHYLANILINE
5-FLUORO-2-METHYLANILINE
5-FLUORO-O-TOLUIDINE
TIMTEC-BB SBB004266
Benzenamine, 5-fluoro-2-methyl-
2-Amino-4-fluorotoluene~5-Fluoro-o-toluidine
4-Fluoro-2-Aminotoluene
Fluoromethylaniline7
5-Fluoro-2-methylaniline,98+%
5-Fluoro-2-methylaniline 98%
5-Fluoro-o-toluidine (NH2=1)
5-Fluoro-2-toluidine
[EINECS(EC#)]

206-689-6
[Molecular Formula]

C7H8FN
[MDL Number]

MFCD00007764
[Molecular Weight]

125.14
[MOL File]

367-29-3.mol
Chemical PropertiesBack Directory
[Appearance]

purple to brown crystalline solid
[Melting point ]

38-40 °C (lit.)
[Boiling point ]

98-100°C 15mm
[density ]

1.13 g/cm3 (20℃)
[refractive index ]

1.538
[Fp ]

194 °F
[storage temp. ]

Keep in dark place,Inert atmosphere,2-8°C
[form ]

Crystalline Solid or Liquid
[pka]

3.44±0.10(Predicted)
[color ]

Purple to brown
[Water Solubility ]

insoluble
[BRN ]

2637584
[InChI]

InChI=1S/C7H8FN/c1-5-2-3-6(8)4-7(5)9/h2-4H,9H2,1H3
[InChIKey]

JLCDTNNLXUMYFQ-UHFFFAOYSA-N
[SMILES]

C1(N)=CC(F)=CC=C1C
[CAS DataBase Reference]

367-29-3(CAS DataBase Reference)
[NIST Chemistry Reference]

5-Fluoro-2-methylaniline(367-29-3)
Safety DataBack Directory
[Hazard Codes ]

Xn,T,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 .
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 1325 4.1/PG 2
[WGK Germany ]

3
[Hazard Note ]

Toxic/Irritant
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29214300
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

5-Fluoro-o-toluidine(367-29-3).msds
Hazard InformationBack Directory
[Chemical Properties]

purple to brown crystalline solid
[Uses]

Used as a pharmaceutical intermediate in organic synthesis.
[Synthesis]

In a nitrogen-fed glovebox, Pd(P(o-tol)3)2 and CyPF-PtBu (1:1 ratio) were dissolved in dioxane and mixed for 5 min. A 20 mL scintation vial was charged with aryl halide (0.60 mmol, 1 equiv), ammonium sulfate (0.90 mmol, 1.5 equiv), and sodium tert-butoxide (2.7 mmol, 4.5 equiv). To this vial was added 6 mL of anhydrous dioxane and the appropriate amount of catalyst from the stock solution. The reaction vial was sealed with a Teflon-lined screw cap and removed from the glovebox. The reaction was stirred at the desired temperature for 12 h. The reaction mixture was diluted with EtOAc and filtered through a pad of Celite. The filtrate was concentrated in vacuo, and the crude product was purified by flash column chromatography. 5-Fluoro-2-methylaniline (Table 3, 2s) (CAS: 367-29-3) The reaction to form this product was conducted with 0.5 mol % Pd(P(o-tol)3)2 and 0.5 mol % CyPF-PtBu for 8 h. The crude product was isolated by flash column chromatography (5:1 Hexanes:EtOAc). 5-Fluoro-2-methylaniline was isolated as an oil in 76% yield. 1(600 MHz, CDCl3): δ 6.97 (t, J= 7.2 Hz, 1H), 6.40 (t, J= 9.9 Hz, 2H), 3.69 (s, 2H), 2.12 (s, 3H). 13C-NMR(151 MHz, CDCl3): δ 162.24 (d, JC-F= 240.9 Hz), 145.82 (d, JC-F= 10.6 Hz), 131.12 (d, JC-F= 9.6 Hz), 117.62 (d, JC-F = 2.6 Hz), 104.67 (d, JC-F= 21.0 Hz), 101.56 (d, JC-F= 24.6 Hz), 16.62 (s).
5-Fluoro-2-methylaniline synthesis
Spectrum DetailBack Directory
[Spectrum Detail]

5-Fluoro-2-methylaniline(367-29-3)MS
5-Fluoro-2-methylaniline(367-29-3)1HNMR
5-Fluoro-2-methylaniline(367-29-3)13CNMR
5-Fluoro-2-methylaniline(367-29-3)IR1
5-Fluoro-2-methylaniline(367-29-3)IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

5-Fluoro-2-methylaniline, 99%(367-29-3)
[Alfa Aesar]

5-Fluoro-2-methylaniline, 98%(367-29-3)
[Sigma Aldrich]

367-29-3(sigmaaldrich)
[TCI AMERICA]

5-Fluoro-2-methylaniline,>98.0%(GC)(367-29-3)
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