ChemicalBook--->CAS DataBase List--->38980-96-0

38980-96-0

38980-96-0 Structure

38980-96-0 Structure
IdentificationBack Directory
[Name]

4-TRIFLUOROMETHYL-BENZAMIDINE HCL
[CAS]

38980-96-0
[Synonyms]

4-TRIFLUOROMETHYL-BENZAMIDINE HCL
4-TrifluoroMethyl-benzanidibe HCL
4-Trifluoromethylbenzamidinehydrochloridel
4-TRIFLUOROMETHYL-BENZAMIDINE HYDROCHLORIDE
4-TRIFLUOROMETHYL-BENZAMIDINE HCL ISO 9001:2015 REACH
4-(Trifluoromethyl)benzenecarboximidamide hydrochloride
4-(Trifluoromethyl)benzene-1-carboximidamide hydrochloride
4-(TrifluoroMethyl)benzenecarboxiMidaMide hydrochloride (1:1)
[Molecular Formula]

C8H8ClF3N2
[MDL Number]

MFCD04114431
[MOL File]

38980-96-0.mol
[Molecular Weight]

224.61
Chemical PropertiesBack Directory
[Melting point ]

158-161℃
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

powder to crystal
[color ]

White to Almost white
[InChI]

1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
[InChIKey]

XFLGYXVBXUAGQV-UHFFFAOYSA-N
[SMILES]

NC(C1=CC=C(C=C1)C(F)(F)F)=N
Questions And AnswerBack Directory
[Uses]

4-Trifluoromethylbenzamide hydrochloride is used as a pharmaceutical synthesis intermediate.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H317-H319
[Precautionary statements ]

P280-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38-43
[Safety Statements ]

26-37/39-36/37
[WGK Germany ]

WGK 3
[HS Code ]

2925290090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

4-TRIFLUOROMETHYL-BENZAMIDINE HCL(38980-96-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

Trifluoro-p-tolunitrile

455-18-5

4-TRIFLUOROMETHYL-BENZAMIDINE HCL

38980-96-0

4-(Trifluoromethyl)benzonitrile (15g, Avocado 14514) was used as raw material, which was dissolved in anhydrous methanol (90 ml) and sodium methanolate (0.50 g) was added. The reaction mixture was stirred at room temperature for 4 days. Subsequently, ammonium chloride (4.7 g) was added to the reaction system and stirring was continued for 24 hours. Upon completion of the reaction, the solvent was removed by rotary evaporator and the white solid residue obtained was ground with ether, filtered and dried to afford the target product 4-(trifluoromethyl)benzamidine hydrochloride as a white solid (14.2 g, 72% yield). Mass spectrometry analysis showed a molecular ion peak of 188 [M]+.

[References]

[1] Patent: US2003/69276, 2003, A1
[2] Journal of the American Chemical Society, 1985, vol. 107, # 9, p. 2743 - 2748
[3] Journal of Medicinal Chemistry, 1990, vol. 33, # 4, p. 1230 - 1241
[4] Patent: US6121202, 2000, A
[5] Patent: US2012/165343, 2012, A1. Location in patent: Page/Page column 55
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