3-Trifluoromethylbenzamidine hydrochloride

Base Information

• Chemical Name: 3-Trifluoromethylbenzamidine hydrochloride
• CAS No.: 62980-03-4
• Molecular Formula: C8H7F3N2.ClH
• Molecular Weight: 224.613
• Hs Code.: 2925290090
• DSSTox Substance ID: DTXSID90369638
• Mol file: 62980-03-4.mol

Synonyms:62980-03-4;3-Trifluoromethylbenzamidine hydrochloride;3-Trifluoromethylbenzamidinehydrochloride;3-(trifluoromethyl)benzene-1-carboximidamide hydrochloride;3-Trifluoromethyl-benzamidine HCl;3-(TRIFLUOROMETHYL)BENZIMIDAMIDE HYDROCHLORIDE;3-trifluoromethyl-benzamidine hydrochloride;3-(trifluoromethyl)benzamidine hydrochloride;3-Trifluoromethylbenzamidine, HCl;3-(Trifluoromethyl)benzamidine HCl;MFCD00179830;3-(trifluoromethyl)benzenecarboximidamide;hydrochloride;SCHEMBL1085054;3-Trifluoromethyl-Benzamidine Hc;DTXSID90369638;BCP17078;AKOS005256825;3-TRIFLUOROMETHYLBENZAMIDINE HCL;AB04412;CS-W021976;SS-4066;AC-23333;AM20060438;FT-0682018;EN300-52142;J-511024;Z803129916;3-(Trifluoromethyl)benzene-1-carboximidamide--hydrogen chloride (1/1)

Chemical Property of 3-Trifluoromethylbenzamidine hydrochloride

Chemical Property:

• Vapor Pressure: 0.106mmHg at 25°C
• Boiling Point: 221.7°C at 760 mmHg
• Flash Point: 87.9°C
• PSA: 49.87000
• LogP: 3.59150
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 224.0328104
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

3-(Trifluoromethyl)benzene-1-carboximidamideHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(=N)N.Cl

Technology Process of 3-Trifluoromethylbenzamidine hydrochloride

There total 3 articles about 3-Trifluoromethylbenzamidine hydrochloride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

methyl 3-(trifluoromethyl)benzimidate hydrochloride (56108-09-9) → 3-(trifluoromethyl)-benzamidine hydrochloride (62980-03-4)

Guidance literature:

With ammonia; In ethanol; at 0 ℃; for 96h;

DOI:10.1021/jm00166a023

Reference yield:

3-trifluoromethylbenzonitrile (368-77-4) → 3-(trifluoromethyl)-benzamidine hydrochloride (62980-03-4)

Guidance literature:

Multi-step reaction with 2 steps

1: HCl (gas) / diethyl ether / 3 - 4 °C

2: NH₃ (gas) / ethanol / 96 h / 0 °C

With hydrogenchloride; ammonia; In diethyl ether; ethanol;

DOI:10.1021/jm00166a023

Reference yield:

→ 3-(trifluoromethyl)-benzamidine hydrochloride (62980-03-4)

Guidance literature:

upstream raw materials:

methyl 3-(trifluoromethyl)benzimidate hydrochloride

3-trifluoromethylbenzonitrile

Downstream raw materials:

3-(Trifluoromethyl)-N-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamidine

ethyl-5-(2-(3-trifluoromethylphenyl)-pyrimidin-4-yl)-thiophene-2-carboxylate

4-cyclopropyl-2-(3-trifluoromethyl-phenyl)-pyrimidine-5-carboxylic acid ethyl ester

3,5-bis(3-(trifluoromethyl)phenyl)-4H-1,2,4-triazole