307557-56-8

Basic information

• Product Name: 2-[3-(TRIFLUOROMETHYL)PHENOXY]ACETOHYDRAZIDE
• Synonyms: 2-[3-(TRIFLUOROMETHYL)PHENOXY]ACETOHYDRAZIDE;2-[3-(trifluoromethyl)phenoxy]acetohydrazide(SALTDATA: FREE);2-[3-(trifluoromethyl)phenoxy]ethanehydrazide
• CAS NO: 307557-56-8
• Molecular Formula: C₉H₉F₃N₂O₂
• Molecular Weight: 234.18
• Mol File: 307557-56-8.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 383.3°C at 760 mmHg
• Flash Point: 185.6°C
• Appearance: /
• Density: 1.353g/cm³
• Vapor Pressure: 4.45E-06mmHg at 25°C
• Refractive Index: 1.486
• PKA: 12.10±0.35(Predicted)
• CAS DataBase Reference: 2-[3-(TRIFLUOROMETHYL)PHENOXY]ACETOHYDRAZIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[3-(TRIFLUOROMETHYL)PHENOXY]ACETOHYDRAZIDE(307557-56-8)
• EPA Substance Registry System: 2-[3-(TRIFLUOROMETHYL)PHENOXY]ACETOHYDRAZIDE(307557-56-8)

Safety Data

• Hazardous Substances Data: 307557-56-8(Hazardous Substances Data)

Usage

Chemical Class

Hydrazide derivative

Belongs to Class

Acetic acid hydrazides

Applications

Pharmaceutical industry
Agrochemical industry

Usage

Building block for synthesizing other compounds
Potential applications in medicinal chemistry

Unique Features

Trifluoromethyl group:
Known for unique chemical and physical properties
Contributes to the compound's potential usefulness for specific applications

InChI:InChI=1/C9H9F3N2O2/c10-9(11,12)6-2-1-3-7(4-6)16-5-8(15)14-13/h1-4H,5,13H2,(H,14,15)

Upstream product

• 98-17-9 3-Trifluoromethylphenol 
• 105-39-5 chloroacetic acid ethyl ester 
• 22897-99-0 ethyl (3-trifluoromethylphenoxy)acetate 
• 588-26-1 methyl 2-[3-(trifluoromethyl)phenoxy]acetate 

Downstream Products

• 1147868-76-5 diethyl [2-(3-trifluoromethylphenoxymethyl)-9-methylsulfanyl-7H-pyrazolo[4,3-e]-1,2,4-triazolo[1,5-d]pyrimidin-7-yl](4-fluorophenyl)methylphosphonate 

Relevant articles and documents

COMPOUND HAVING CYCLIC STRUCTURE

An object of the present invention is to provide a compound having an anti-inflammatory activity or a pharmacologically acceptable salt thereof. The solution of the present invention is a compound of general formula (1) or a pharmacologically acceptable salt thereof. wherein the symbols in the formula are defined below: A: e.g., Benzene, E: e.g., —CH2—, G: e.g., a 5-membered aromatic heterocyclic ring, X: e.g., cyclohexane, J: e.g., a 5-membered aromatic heterocyclic ring, Y: e.g., a phenyl group, R1, R2, R3: e.g., a halogen atom, R4: e.g., a C1-C6 alkyl group, R5: e.g., a hydrogen atom, R6a, R6b, R6c, R6d: e.g., a hydrogen atom, R7: e.g., a hydrogen atom, R8: e.g., a hydrogen atom, n1, n2, n3: e.g., 1.

Synthesis, Nematicidal Activity, and 3D-QSAR of Novel 1,3,4-Oxadiazole/ Thiadiazole Thioether Derivatives

Forty one novel 1,3,4-oxadiazole/thiadiazole thioether derivatives containing phenoxy moiety were designed and synthesized. Bioassay demonstrated that some of them showed remarkable activities against Tylenchulus semipenetrans in vitro and in vivo. Compounds 20, 21, 35 and 39 showed excellent lethal activities after treatment for 48?h in vitro, with LC50 values of 13.4?±?1.8, 11.7?±?2.5, 13.7?±?2.4 and 13.3?±?1.1?mg·L–1, respectively, which were obviously superior to fosthiazate (49.1?±?2.8?mg·L–1) and avermectin (26.6?±?2.3?mg·L–1). Compound 21 can effectively control the citrus nematode disease caused by T. semipenetrans at 200?mg·L–1 in vivo with (68?±?3)% inhibitory effect, which was even better than that of avermectin ((63?±?2)%). The CoMFA and CoMSIA models of three-dimensional quantitative structure-activity relationships (3D-QSARs) were established. The compound 33 was designed based on the 3D-QSAR models with more vigorous nematicidal activities in vitro (LC50?=?9.8?±?1.4?mg·L–1) and in vivo ((70?±?5)%). These results demonstrated that compound 33 can be considered as a potential nematicide.