ChemicalBook--->CAS DataBase List--->54396-44-0

54396-44-0

54396-44-0 Structure

54396-44-0 Structure
IdentificationMore
[Name]

2-Methyl-3-trifluoromethylaniline
[CAS]

54396-44-0
[Synonyms]

2-METHYL-3-(TRIFLUOROMETHYL)ANILINE
2-METHYL-3-TRIFLUOROMETHYL-PHENYLAMINE
3-AMINO-2-METHYLBENZOTRIFLUORIDE
3-PERFLUOROMETHYL-2-METHYLANILINE
3-TRIFLUOROMETHYL-O-TOLUIDINE
MABTF
2-Methyl-3-Amino Benzotrifluoride
2-methyl-3-thifluoromethylaniline
2-methyl-3-trifluoromethylaniline(MTA)
2-Amino-6-trifluoromethyl toluene
2-Methyl-3-(trifluoromethyl)benzenamine
2-Methyl-3-Trifluoromethylaniline/2-Methyl-3-(Trifluoromethyl)Benzenamine
2-Methyl-3-Trifluoromethylanil
2-methyl-3-trifluoromethylaniline (intermediate of flunixin)
3-Amino-2-methylbenzotrifluoride 98%
3-Amino-2-methylbenzotrifluoride98%
2-METHYL-3-TRIFLUOROMETHYLANILINE (3-AMINO-2-METHYLBENZOTRIFLUORIDE)
3-Trifluoromethyl-2-methylaniline
2-Methyl-3-trifluoromethylaniline (3-Amino-2-methylbenzotrifluor
[EINECS(EC#)]

259-145-5
[Molecular Formula]

C8H8F3N
[MDL Number]

MFCD00153216
[Molecular Weight]

175.15
[MOL File]

54396-44-0.mol
Chemical PropertiesBack Directory
[Melting point ]

38-42 °C(lit.)
[Boiling point ]

62-64°C 4mm
[density ]

1.237±0.06 g/cm3(Predicted)
[Fp ]

>210 °F
[storage temp. ]

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

Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
[form ]

Crystalline Powder
[pka]

3.23±0.10(Predicted)
[color ]

White
[BRN ]

2832865
[InChI]

InChI=1S/C8H8F3N/c1-5-6(8(9,10)11)3-2-4-7(5)12/h2-4H,12H2,1H3
[InChIKey]

TWLDBACVSHADLI-UHFFFAOYSA-N
[SMILES]

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

54396-44-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P305+P351+P338
[Hazard Codes ]

Xi,T,T+
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
R26/27/28:Very 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 .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
[RIDADR ]

2811
[WGK Germany ]

3
[Hazard Note ]

Toxic
[HazardClass ]

6.1
[HazardClass ]

IRRITANT
[HS Code ]

29214990
[Storage Class]

11 - Combustible Solids
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

3-Amino-2-methylbenzotrifluoride(54396-44-0).msds
Hazard InformationBack Directory
[Chemical Properties]

White crystalline powder
[Uses]

2-Methyl-3-trifluoromethylaniline is a reactant in the synthesis of methylguanidine derivatives as prospective PET radioligands for the open channel of the NMDA receptor, linked to Alzheimer’s, epilepsy and other neurodegenerative disorders.
[General Description]

2-Methyl-3-(trifluoromethyl)aniline belongs to the trifluoromethylbenzene series.
[Synthesis]

A method for synthesizing 2-methyl-3-trifluoromethyl aniline, which takes 2-chloro-3-trifluoromethyl aniline as a raw material, introduces methylthio on the 2-chloro-3-trifluoromethyl aniline, reacts with sulfonyl chloride to convert the methylthio into chloromethyl, and then neutralizes and hydrogenates to obtain pure 2-Methyl-3-trifluoromethylaniline.
2-Methyl-3-trifluoromethylaniline synthesis route
[References]

[1] Patent: US5248781, 1993, A
[2] Heterocycles, 1994, vol. 38, # 10, p. 2243 - 2246
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methyl-3-trifluoromethylaniline(54396-44-0)MS
2-Methyl-3-trifluoromethylaniline(54396-44-0)1HNMR
2-Methyl-3-trifluoromethylaniline(54396-44-0)13CNMR
2-Methyl-3-trifluoromethylaniline(54396-44-0)IR1
2-Methyl-3-trifluoromethylaniline(54396-44-0)IR2
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

2-Methyl-3-(trifluoromethyl)aniline, 98%(54396-44-0)
[Sigma Aldrich]

54396-44-0(sigmaaldrich)
[TCI AMERICA]

2-Methyl-3-trifluoromethylaniline,>99.0%(GC)(54396-44-0)
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