85303-96-4

Basic information

• Product Name: 3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole
• Synonyms: 3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole
• CAS NO: 85303-96-4
• Molecular Formula: C₁₆H₁₄ClN₃O
• Molecular Weight: 299.7549
• Mol File: 85303-96-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 523.7°Cat760mmHg
• Flash Point: 270.5°C
• Appearance: /
• Density: 1.264g/cm³
• Vapor Pressure: 4.59E-11mmHg at 25°C
• Refractive Index: 1.612
• CAS DataBase Reference: 3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole(85303-96-4)
• EPA Substance Registry System: 3-(5-Chloro-o-tolyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole(85303-96-4)

Safety Data

• Hazardous Substances Data: 85303-96-4(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H14ClN3O/c1-10-6-7-12(17)9-14(10)16-18-15(19-20-16)11-4-3-5-13(8-11)21-2/h3-9H,1-2H3,(H,18,19,20)

Upstream product

• 7499-06-1 5-chloro-2-methylbenzoic acid 
• 21900-40-3 5-chloro-2-methylbenzoyl chloride 
• 85304-05-8 5-chloro-2-methylbenzohydrazide 

Relevant articles and documents

A New Class of Nonhormonal Pregnancy-Terminating Agents. Synthesis and Contragestational Activity of 3,5-Diaryl-s-triazoles

A series of 3,5-diaryl-s-triazoles were synthesized and evaluated as postimplantation contragestational agents.The introduction of various substituents (e.g., an o-alkyl chain on one phenyl and a m-alkoxy group on the other) was found to increase the potency.Several compounds with very high pregnancy-terminating activity in both hamsters and rats were obtained.One of these, 3-(2-ethylphenyl)-5-(3-methoxyphenyl)-s-triazole, DL 111 (36), was selected for detailed evaluation in various animal species.A synthetic scheme for the preparation of these compounds and preliminary structure-activity relationships are presented.