118949-22-7

Basic information

• Product Name: vorozole
• Synonyms: 1-Methyl-6-[α-(1H-1,2,4-triazol-1-yl)-4-chlorobenzyl]-1H-benzotriazole;R-76713;1H-Benzotriazole, 6-((4-chlorophenyl)-1H-1,2,4-triazol-1-ylmethyl)-1-methyl-;Ccris 8867
• CAS NO: 118949-22-7
• Molecular Formula: C₁₆H₁₃ClN₆
• Molecular Weight: 324.774
• Mol File: 118949-22-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 178.9°
• Boiling Point: 575.1°Cat760mmHg
• Flash Point: 301.6°C
• Appearance: /
• Density: 1.44g/cm³
• Vapor Pressure: 3.15E-13mmHg at 25°C
• Refractive Index: 1.738
• CAS DataBase Reference: vorozole(CAS DataBase Reference)
• NIST Chemistry Reference: vorozole(118949-22-7)
• EPA Substance Registry System: vorozole(118949-22-7)

Safety Data

• Hazardous Substances Data: 118949-22-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C16H13ClN6/c1-22-15-8-12(4-7-14(15)20-21-22)16(23-10-18-9-19-23)11-2-5-13(17)6-3-11/h2-10,16H,1H3

Upstream product

• 157332-81-5 2-[(4-chlorophenyl)(1-methyl-1H-benzotriazol-6-yl)methyl]hydrazinecarboxaldehyde 
• 3473-63-0 formamidine acetic acid 
• 157332-78-0 (4-chlorophenyl)-(1-methyl-1H-benzotriazole-6-yl)methanone 
• 914401-84-6 C₁₄H₁₃ClN₂O 
• 914401-83-5 C₁₄H₁₁ClN₂O₃ 
• 914401-82-4 C₁₅H₁₂ClN₃O₂ 
• 35966-84-8 4-chloro-2-methylaminonitrobenzene 
• 288-88-0 1,2,4-Triazole 

Relevant articles and documents

Development summary towards a manufacturable process for R 83842 [(S)-6-[(4-chlorophenyl) (1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H-benzotriazole]

A scalable process to produce enantiomeric R 83842, (S)-6-[(4-chlorophenyl)(1H-1,2,4-triazol-1-yl)methyl]-1-methyl-1H-benzotriazole, is developed and described as a lecture * transcript. Cheap and safe reagents have been used. A typical procedure for oxidative destruction of aqueous cyanide waste, and stability data on N-acetyl hydrazine are provided. Special focus is on cost analysis as an important tool in developing performant synthetic methods. The method consists of preparing a chiral monosubstituted hydrazine which is ring closed to the chiral 1-alkylated 1,2,4-triazole title compound.