4-Chlorobenzo[c][1,2,5]thiadiazole

Base Information

• Chemical Name: 4-Chlorobenzo[c][1,2,5]thiadiazole
• CAS No.: 2207-28-5
• Molecular Formula: C₆H₃ClN₂S
• Molecular Weight: 170.622
• Hs Code.: 2934999090
• European Community (EC) Number: 871-336-0
• NSC Number: 202729
• DSSTox Substance ID: DTXSID10308221
• Wikidata: Q82055980
• Mol file: 2207-28-5.mol

Synonyms:4-Chlorobenzo[c][1,2,5]thiadiazole;2207-28-5;4-chloro-2,1,3-benzothiadiazole;2,1,3-Benzothiadiazole, 4-chloro-;NSC202729;SCHEMBL10843606;4-chlorobenz-2,1,3-thiadiazole;DTXSID10308221;CAA20728;MFCD17168971;AKOS005151944;NSC 202729;NSC-202729;AS-61303;CS-0155626;D70733;EN300-6490061;Z1255433948

Chemical Property of 4-Chlorobenzo[c][1,2,5]thiadiazole

Chemical Property:

• Vapor Pressure: 0.039mmHg at 25°C
• Melting Point: 55 °C(Solv: ethanol (64-17-5))
• Boiling Point: 248.1°Cat760mmHg
• PKA: -1.02±0.45(Predicted)
• Flash Point: 103.8°C
• PSA: 54.02000
• Density: 1.531g/cm³
• LogP: 2.34470
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 169.9705470
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98% ^*data from raw suppliers

4-Chlorobenzo[c][1,2,5]thiadiazole 95.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=NSN=C2C(=C1)Cl

Technology Process of 4-Chlorobenzo[c][1,2,5]thiadiazole

There total 4 articles about 4-Chlorobenzo[c][1,2,5]thiadiazole 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: 86.0%

2,3-diaminochlorobenzene (21745-41-5) → 4-Chlor-benz<2,1,3>thiadiazol (2207-28-5)

Guidance literature:

With N-phenylsulfinylamine; In toluene; for 3h; Reflux;

DOI:10.1002/chem.201200597

Reference yield:

benzo[1,2,5]thiadiazole (273-13-2,22706-22-5) → 4-Chlor-benz<2,1,3>thiadiazol (2207-28-5)

Guidance literature:

With formaldehyd; chlorine; iron; at 100 ℃;

DOI:10.1007/BF00944264

Reference yield:

→ 4-Chlor-benz<2,1,3>thiadiazol (2207-28-5)

Guidance literature:

With hydrogenchloride; copper(l) chloride;

upstream raw materials:

benzo[1,2,5]thiadiazole

2,3-diaminochlorobenzene

Downstream raw materials:

4-Chlor-7-amino-benz<2.1.3>thiodiazol

4-chloro-7-nitrobenzo[c][1,2,5]thiadiazole

Refernces

• 1、 Uchiyama, Seiichi,Kimura, Kohki,Gota, Chie,Okabe, Kohki,Kawamoto, Kyoko,Inada, Noriko,Yoshihara, Toshitada,Tobita, Seiji. "Environment-sensitive fluorophores with benzothiadiazole and benzoselenadiazole structures as candidate components of a fluorescent polymeric thermometer". . p. 9552 - 9563. Retrieved 2012.