2-(Trifluoromethyl)benzamidoxime

Base Information

• Chemical Name: 2-(Trifluoromethyl)benzamidoxime
• CAS No.: 40067-66-1
• Molecular Formula: C8H7 F3 N2 O
• Molecular Weight: 204.152
• Hs Code.: 2925290090
• European Community (EC) Number: 692-238-2
• Mol file: 40067-66-1.mol

Synonyms:2-(trifluoromethyl)benzamidoxime;40067-66-1;SCHEMBL103318;MFCD06660165;STL450506;AKOS009312982;AS-5415;A912200;(Z)-N'-hydroxy-2-(trifluoromethyl)benzene-1-carboximidamide

Chemical Property of 2-(Trifluoromethyl)benzamidoxime

Chemical Property:

• Boiling Point: 312.9°Cat760mmHg
• Flash Point: 143°C
• PSA: 56.11000
• Density: 1.4g/cm³
• LogP: 2.50020
• XLogP3: 0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.05104734
• Heavy Atom Count: 14
• Complexity: 227

Purity/Quality:

99%min. ^*data from raw suppliers

2-(Trifluoromethyl)benzamidoxime ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(Trifluoromethyl)benzamidoxime

There total 5 articles about 2-(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: 99.0%

→ N'-hydroxy-2-(trifluoromethyl)benzene-carboximidamide (40067-66-1)

Guidance literature:

Reference yield:

2-(trifluoromethyl)benzonitrile (447-60-9) → N'-hydroxy-2-(trifluoromethyl)benzene-carboximidamide (40067-66-1)

Guidance literature:

With hydroxylamine; In ethanol; Heating;

DOI:10.1021/jm00281a036

Reference yield:

2-(trifluoromethyl)benzonitrile (447-60-9) → N-Hydroxy-2-trifluoromethyl-benzamidine (40067-66-1)

Guidance literature:

With hydroxylamine hydrochloride; triethylamine; In ethanol; Heating;

DOI:10.1016/j.bmcl.2005.10.002

upstream raw materials:

2-(trifluoromethyl)benzonitrile

2-Trifluoromethylbenzaldehyde

N-[[2-(trifluoromethyl)phenyl]methylidene]hydroxylamine

Downstream raw materials:

3-(2-trifluoromethylphenyl)-5-chloromethyl-1,2,4-oxadiazole

Ethyl 3-[3-(2-trifluoromethylphenyl)-1,2,4-oxadiazol-5-ylmethyl]-4-oxo-3H-phthalazin-1-ylacetate

3-[3-(2-Trifluoromethylphenyl)-1,2,4-oxadiazol-5-ylmethyl]-4-oxo-3H-phthalazin-1-ylacetic acid

C₁₀H₈ClF₃N₂O₂

Refernces

• 1、 Khallaf, Abdalla,Liu, Hui,Wang, Ping,Zhu, Hongjun,Zhuo, Shuping. "1,2,4-Oxadiazole ring–containing pyridylpyrazole-4-carboxamides: Synthesis and evaluation as novel insecticides of the anthranilic diamide family". supporting information. . Retrieved 2020/02/18.
• 2、 Zhang, Guofu,Zhao, Yiyong,Ding, Chengrong. "A cascade process for directly converting nitriles (RCN) to cyanamides (RNHCN) via SO2F2-activated Tiemann rearrangement". supporting information. p. 7684 - 7688. Retrieved 2019/08/30.