ChemicalBook--->CAS DataBase List--->456-14-4

456-14-4

456-14-4 Structure

456-14-4 Structure
IdentificationBack Directory
[Name]

4-Fluorobenzamidine hydrochloride
[CAS]

456-14-4
[Synonyms]

4-FLUOROBENZAMIDINE HCL
4-FLUORO-BENZAMIDINE HYDROCHLORIDE
4-fluorobenzimidamide hydrochloride
4-Fluoro-benzamidine hydrochloride ,95%
4-Fluorobenzamidine Hydrochloride Hydrate
4-FluorobenzaMidine hydrochloride/2339-59-5
amino(4-fluorophenyl)methaniminium chloride
4-fluorobenzenecarboximidamide hydrochloride
4-Fluorobenzamidine Hydrochloride Hydrate >
4-fluorobenzene-1-carboxiMidaMide hydrochloride
Benzenecarboximidamide, 4-fluoro-, monohydrochloride
[Molecular Formula]

C7H8ClFN2
[MDL Number]

MFCD04114421
[MOL File]

456-14-4.mol
[Molecular Weight]

174.6
Chemical PropertiesBack Directory
[Melting point ]

209.0 to 213.0 °C
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

Solid
[Appearance]

White to off-white Solid
[InChI]

1S/C7H7FN2.ClH/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H3,9,10);1H
[InChIKey]

JQDATBKJKUWNGA-UHFFFAOYSA-N
[SMILES]

Cl.NC(=N)c1ccc(F)cc1
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P264-P270-P301+P310-P405-P501
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[WGK Germany ]

WGK 3
[HS Code ]

2916310090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydroxide-->Methanol-->Diethyl ether-->Sulfuric acid-->Ammonium hydroxide-->Ammonium chloride-->4-Fluorobenzonitrile-->Ethyl 4-fluorobenzimidate hydrochloride-->Ammonia-->Ethanol
[Preparation Products]

5-Chloro-3-(4-fluoro-phenyl)-[1,2,4]thiadiazole
Hazard InformationBack Directory
[Uses]

4-Fluorobenzamidine hydrochloride is used as pharmaceutical intermediate.
[Synthesis]

ETHYL 4-FLUOROBENZIMIDATE HYDROCHLORIDE

4278-01-7

4-Fluorobenzamidine hydrochloride

456-14-4

GENERAL METHOD: Ethyl sialic acid hydrochloride (10 mmol) was dissolved in ethanol (10 mL) and transferred to a round-bottomed flask equipped with a magnetic stirrer. After sealing the flask with a rubber stopper, a methanol solution of ammonia (10 mL) was slowly added to the reaction system via a syringe. The reaction mixture was stirred continuously at room temperature for 24 hours. Upon completion of the reaction, the solvent was removed by distillation under reduced pressure and the resulting crude product was purified by rapid column chromatography on silica gel (eluent: ethyl acetate/methanol, 4:1, v/v) to afford 4-fluorobenzenemethanimidamide hydrochloride (1j) as a white solid in 87% yield (1.52 g, 8.7 mmol).

[References]

[1] Tetrahedron, 2014, vol. 70, # 8, p. 1635 - 1645
Spectrum DetailBack Directory
[Spectrum Detail]

4-Fluorobenzamidine hydrochloride(456-14-4)1HNMR
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