5-Chloro-6-methyl-2,1,3-benzoselenadiazole

Base Information

• Chemical Name: 5-Chloro-6-methyl-2,1,3-benzoselenadiazole
• CAS No.: 2255-94-9
• Molecular Formula: C7H5 Cl N2 Se
• Molecular Weight: 231.543
• Hs Code.: 2903999090
• DSSTox Substance ID: DTXSID10566041
• Mol file: 2255-94-9.mol

Synonyms:2255-94-9;5-CHLORO-6-METHYL-2,1,3-BENZOSELENODIAZOLE;5-Chloro-6-methyl-2,1,3-benzoselenadiazole;5-Chloro-6-methylbenzo[c][1,2,5]selenadiazole;DTXSID10566041;AKOS030255468

Chemical Property of 5-Chloro-6-methyl-2,1,3-benzoselenadiazole

Chemical Property:

• Vapor Pressure: 0.002mmHg at 25°C
• Boiling Point: 304.576°C at 760 mmHg
• Flash Point: 138.003°C
• PSA: 25.78000
• LogP: 1.64860
• Solubility.: Methanol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 231.93065
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-6-methyl-2,1,3-benzoselenodiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=N[Se]N=C2C=C1Cl
• Uses: 5-Chloro-6-methyl-2,1,3-benzoselenodiazole (cas# 2255-94-9) is a compound useful in organic synthesis.

Technology Process of 5-Chloro-6-methyl-2,1,3-benzoselenadiazole

There total 2 articles about 5-Chloro-6-methyl-2,1,3-benzoselenadiazole 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: 88.0%

4-chloro-5-methylbenzene-1,2-diamine (63155-04-4) → 5-chloro-6-methyl-2,1,3-benzoselenadiazole (2255-94-9)

Guidance literature:

With hydrogenchloride; selenium(IV) oxide; at 80 ℃;

Reference yield:

→ 5-chloro-6-methyl-2,1,3-benzoselenadiazole (2255-94-9)

Guidance literature:

/BRN= 72489/, SeO2;

Reference yield: 20.0%

5-chloro-6-methyl-2,1,3-benzoselenadiazole (2255-94-9) → 5-chloro-6-methyl-4-nitro-2,1,3-benzoselenadiazole (147021-84-9) + 6-chloro-5-methyl-4-nitro-2,1,3-benzoselenadiazole

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 20 ℃; for 1h;

upstream raw materials:

4-chloro-5-methylbenzene-1,2-diamine

Downstream raw materials:

5-chloro-6-methyl-4-nitro-2,1,3-benzoselenadiazole

6-methyl-5-methylamino-4-nitro-2,1,3-benzoselenadiazole

2-amino-3,4-dimethyl-3H-imidazo<4,5-f>quinoxaline

2-amino-3,4,7,8-tetramethylimidazo[4,5-f]quinoxaline

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