4-(Trifluoromethyl)benzhydrazide

Base Information

• Chemical Name: 4-(Trifluoromethyl)benzhydrazide
• CAS No.: 339-59-3
• Molecular Formula: C8H7F3N2O
• Molecular Weight: 204.152
• Hs Code.: 2928000090
• DSSTox Substance ID: DTXSID30334421
• Nikkaji Number: J265.585C
• Wikidata: Q82100211
• ChEMBL ID: CHEMBL4212679
• Mol file: 339-59-3.mol

Synonyms:4-(Trifluoromethyl)benzhydrazide;339-59-3;4-(Trifluoromethyl)benzohydrazide;4-Trifluoromethylbenzhydrazide;4-(Trifluoromethyl)benzoic acid hydrazide;4-trifluoromethylbenzohydrazide;4-Trifluoromethylbenzoic acid hydrazide;4-(trifluoromethyl)benzene-1-carbohydrazide;2-NitrophenoxyaceticAcid;SCHEMBL182755;4-trifluoromethylbenzoylhydrazine;CHEMBL4212679;4-(trifluoromethyl)-benzhydrazide;DTXSID30334421;HMS1666L16;AMY15207;4-(Trifluoromethyl)benzohydrazide #;MFCD00051703;STK731602;AKOS000191875;4-(Trifluoromethyl)benzhydrazide, 97%;AB02137;BS-4138;CCG-252322;CS-W015420;a,a,a-Trifluoro-p-toluic acid hydrazide;4-(Trifluoromethyl)-benzoic acid hydrazide;FT-0616913;A21588;EN300-175113;J-019398;Z58981838

Chemical Property of 4-(Trifluoromethyl)benzhydrazide

Chemical Property:

• Vapor Pressure: 5.01E-09mmHg at 25°C
• Melting Point: 115-119 °C(lit.)
• Refractive Index: 1.578
• Boiling Point: 470.6°C at 760 mmHg
• PKA: 11.90±0.10(Predicted)
• Flash Point: 238.4°C
• PSA: 55.12000
• Density: 1.357 g/cm³
• LogP: 2.40010
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 204.05104734
• Heavy Atom Count: 14
• Complexity: 209

Purity/Quality:

99.0%Min ^*data from raw suppliers

4-(Trifluoromethyl)benzhydrazide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NN)C(F)(F)F
• Uses: 4-(Trifluoromethyl)benzhydrazide is a reagent used in the synthesis of benzoyl hydrazone derivatives displaying fungicidal activity.

Technology Process of 4-(Trifluoromethyl)benzhydrazide

There total 10 articles about 4-(Trifluoromethyl)benzhydrazide 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: 100.0%

methyl 4-(trifluoromethyl)benzoate (2967-66-0) → 4-(trifluoromethyl)benzoic acid hydrazide (339-59-3)

Guidance literature:

With hydrazine hydrate; In ethanol; Reflux;

DOI:10.3390/molecules26040989

Reference yield: 93.8%

→ 4-(trifluoromethyl)benzoic acid hydrazide (339-59-3)

Guidance literature:

With hydrazine hydrate; In ethanol; for 2h; Reflux;

Reference yield: 92.0%

4-trifluoromethylbenzoic acid (455-24-3) → 4-(trifluoromethyl)benzoic acid hydrazide (339-59-3)

Guidance literature:

4-trifluoromethylbenzoic acid; With 4-methyl-morpholine; isobutyl chloroformate; In tetrahydrofuran; at 20 ℃; for 1.5h;

With hydrazine; In tetrahydrofuran; for 5h;

DOI:10.1021/jm061006n

upstream raw materials:

ethyl 4-(trifluoromethyl)benzoate

methyl 4-(trifluoromethyl)benzoate

4-trifluoromethylbenzoic acid

4-trifluoromethyl-phenyl acetyl chloride

Downstream raw materials:

5-[4-(Trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-thiol

C₂₁H₂₀ClF₃N₃O₇PS

C₁₅H₁₂F₃N₃O₂

2-methyl-5-(4-(trifluoromethyl)phenyl)-1,3,4-oxadiazole

Refernces

• 1、 Bai, Hangyu,Jiang, Weiqi,Li, Qi,Li, Tian,Ma, Shichuang,Shi, Baojun,Wu, Wenjun. "Design, Synthesis, and Study of the Insecticidal Activity of Novel Steroidal 1,3,4-Oxadiazoles". . p. 11572 - 11581. Retrieved 2021/10/12.
• 2、 Li, Yitao,Yao, Wenqiang,Lin, Jian,Gao, Guoliang,Huang, Chang,Wu, Yang. "Design, synthesis, and biological evaluation of phenyloxadiazole derivatives as potential antifungal agents against phytopathogenic fungi". . p. 121 - 135. Retrieved 2021/01/05.