3,5-Bis(trifluoromethyl)benzamidoxime

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)benzamidoxime
• CAS No.: 72111-09-2
• Molecular Formula: C₉H₆F₆N₂O
• Molecular Weight: 272.15
• Hs Code.: 2925290090
• European Community (EC) Number: 670-624-1
• DSSTox Substance ID: DTXSID60992836
• Mol file: 72111-09-2.mol

Synonyms:3,5-Bis(trifluoromethyl)benzamidoxime;72111-09-2;N'-Hydroxy-3,5-bis(trifluoromethyl)benzimidamide;1159171-31-9;N'-hydroxy-3,5-bis(trifluoromethyl)benzenecarboximidamide;(Z)-N'-Hydroxy-3,5-bis(trifluoromethyl)benzimidamide;Benzenecarboximidamide, N-hydroxy-3,5-bis(trifluoromethyl)-;SCHEMBL15229092;HMS563O07;DTXSID60992836;(Z)-N'-hydroxy-3,5-bis(trifluoromethyl)benzene-1-carboximidamide;AKOS015852772;AKOS025310019;CCG-245634;PS-7272;CS-0187588;CS-0370984;A837425;N-Hydroxy-3,5-bis(trifluoromethyl)benzene-1-carboximidamide

Chemical Property of 3,5-Bis(trifluoromethyl)benzamidoxime

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.00146mmHg at 25°C
• Melting Point: 129-132 °C(lit.)
• Refractive Index: 1.453
• Boiling Point: 283.8 °C at 760 mmHg
• Flash Point: 125.4 °C
• PSA: 58.61000
• Density: 1.54 g/cm³
• LogP: 3.51900
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 272.03843179
• Heavy Atom Count: 18
• Complexity: 302

Purity/Quality:

98%min ^*data from raw suppliers

3,5-Bis(trifluoromethyl)benzamidoxime 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 22-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(=NO)N
• Isomeric SMILES: C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)/C(=N/O)/N

Technology Process of 3,5-Bis(trifluoromethyl)benzamidoxime

There total 2 articles about 3,5-Bis(trifluoromethyl)benzamidoxime 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:

3,5-bis(trifluoromethyl)benzonitrile (27126-93-8) → 3,5-bis(trifluoromethyl)benzamidoxime (1159171-31-9,72111-09-2)

Guidance literature:

With hydroxylamine hydrochloride; potassium hydroxide; In methanol; at 60 ℃;

DOI:10.1016/j.bmc.2018.02.017

Reference yield:

N-hydroxy-3,5-bis(trifluoromethyl)benzimidoyl chloride (902492-10-8) → 3,5-bis(trifluoromethyl)benzamidoxime (1159171-31-9,72111-09-2)

Guidance literature:

With ammonia;

DOI:10.1021/jf800651z

Reference yield: 25.2%

3,5-bis(trifluoromethyl)benzamidoxime (1159171-31-9,72111-09-2) + methyl (E)-2-[2-(bromomethyl)phenyl]-2-(methoxyimino)acetate (133409-72-0) → C20H17F6N3O4 (1044570-72-0)

Guidance literature:

3,5-bis(trifluoromethyl)benzamidoxime; With potassium hydroxide; In N,N-dimethyl-formamide; at -5 - 0 ℃; for 1h;

methyl (E)-2-[2-(bromomethyl)phenyl]-2-(methoxyimino)acetate; In N,N-dimethyl-formamide; at -5 - 25 ℃;

DOI:10.1021/jf800651z

upstream raw materials:

N-hydroxy-3,5-bis(trifluoromethyl)benzimidoyl chloride

3,5-bis(trifluoromethyl)benzonitrile

Downstream raw materials:

C₂₁H₁₈F₆N₂O₄

C₂₀H₁₇F₆N₃O₄

methyl 2-(3-(3,5-bis(trifluoromethyl)phenyl)-1,2,4-oxadiazol-5-yl)acetate

Refernces

• 1、 Liu, Aiping,Wang, Xiaoguang,Ou, Xiaoming,Huang, Mingzhi,Chen, Can,Liu, Shudong,Huang, Lu,Liu, Xinping,Zhang, Chenglai,Zheng, Yongquan,Ren, Yeguo,He, Lian,Yao, Jianren. "Synthesis and fungicidal activities of novel bis(trifluoromethyl)phenyl- based strobilurins". scheme or table. p. 6562 - 6566. Retrieved 2010/04/06.