7-Chloro-3-(4-methylphenyl)-2H-1,2,4-benzoxadiazine

Base Information

• Chemical Name: 7-Chloro-3-(4-methylphenyl)-2H-1,2,4-benzoxadiazine
• CAS No.: 54367-80-5
• Molecular Formula: C14H11ClN2O
• Molecular Weight: 258.707
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40482467
• Nikkaji Number: J399.289F
• Wikidata: Q82318819
• Mol file: 54367-80-5.mol

Synonyms:54367-80-5;7-Chloro-3-(4-methylphenyl)-2H-1,2,4-benzoxadiazine;2h-1,2,4-benzoxadiazine,7-chloro-3-(4-methylphenyl)-;DTXSID40482467

Chemical Property of 7-Chloro-3-(4-methylphenyl)-2H-1,2,4-benzoxadiazine

Chemical Property:

• PSA: 33.62000
• LogP: 3.38810
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 258.0559907
• Heavy Atom Count: 18
• Complexity: 326

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Cl)ON2

Technology Process of 7-Chloro-3-(4-methylphenyl)-2H-1,2,4-benzoxadiazine

There total 2 articles about 7-Chloro-3-(4-methylphenyl)-2H-1,2,4-benzoxadiazine 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:

→ 3-p-Tolyl-7-chlor-4H-1,2,4-benzoxadiazin (54367-80-5)

Guidance literature:

Addukt 7 - Erhitzen;

DOI:10.1039/P19760002161

Reference yield:

→ 7-chloro-3-p-tolyl-2(4)H-benzo[1,2,4]oxadiazine (54367-80-5)

Guidance literature:

/BRN= 775181/(1b), /BRN= 606670/;

DOI:10.1039/C39740000486

Reference yield: 80.0%

7-chloro-3-p-tolyl-2(4)H-benzo[1,2,4]oxadiazine (54367-80-5) → 6-chloro-2-(p-tolyl)benzoxazole

Guidance literature:

In xylene; for 18h; Heating;

Downstream raw materials:

6-chloro-2-(4-methylphenyl)benzoxazole

aniline