5-Chloro-3-phenyl-1,2,4-thiadiazole

Base Information

• Chemical Name: 5-Chloro-3-phenyl-1,2,4-thiadiazole
• CAS No.: 24255-23-0
• Molecular Formula: C8H5 Cl N2 S
• Molecular Weight: 196.66
• Hs Code.: 2934999090
• European Community (EC) Number: 834-108-1
• NSC Number: 518113
• DSSTox Substance ID: DTXSID80178953
• Nikkaji Number: J102.251B
• Wikidata: Q83049465
• Mol file: 24255-23-0.mol

Synonyms:5-CHLORO-3-PHENYL-1,2,4-THIADIAZOLE;24255-23-0;5-Chloro-3-phenyl-[1,2,4]thiadiazole;1,2,4-Thiadiazole, 5-chloro-3-phenyl-;NSC518113;SCHEMBL930343;DTXSID80178953;ZAA25523;MFCD00096450;AKOS004904277;AS-5184;NSC 518113;NSC-518113;1,4-Thiadiazole, 5-chloro-3-phenyl-;5-Chloro-3-phenyl-1,2,4-thiadiazole #;FT-0744700;EN300-61279;Z963466992

Chemical Property of 5-Chloro-3-phenyl-1,2,4-thiadiazole

Chemical Property:

• Vapor Pressure: 0.00034mmHg at 25°C
• Melting Point: 52 °C
• Boiling Point: 329.5°Cat760mmHg
• PKA: -2.43±0.30(Predicted)
• Flash Point: 153.1°C
• PSA: 54.02000
• Density: 1.379g/cm³
• LogP: 2.85850
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 195.9861970
• Heavy Atom Count: 12
• Complexity: 150

Purity/Quality:

98%min ^*data from raw suppliers

5-Chloro-3-phenyl-1,2,4-thiadiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NSC(=N2)Cl

Technology Process of 5-Chloro-3-phenyl-1,2,4-thiadiazole

There total 4 articles about 5-Chloro-3-phenyl-1,2,4-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:

benzamidine monohydrochloride (1670-14-0) + chlorothio-trichloro-methane (594-42-3) → 5-chloro-3-phenyl-[1,2,4]thiadiazole (24255-23-0) + 3-phenyl-1,2,4-thiadiazole-5-ol (75465-37-1)

Guidance literature:

With sodium hydroxide; In water; ethyl acetate; at 25 ℃; under 3878.71 Torr; Flow reactor;

DOI:10.1016/j.bmc.2017.01.022

Reference yield:

benzamidine monohydrochloride (1670-14-0) + chlorothio-trichloro-methane (594-42-3) → 5-chloro-3-phenyl-[1,2,4]thiadiazole (24255-23-0)

Guidance literature:

With sodium hydroxide;

Reference yield:

trichloromethyl mercaptan (75-70-7) + benzamidine monohydrochloride (1670-14-0) → 5-chloro-3-phenyl-[1,2,4]thiadiazole (24255-23-0)

Guidance literature:

With sodium hydroxide; In dichloromethane; water; at 0 - 20 ℃; for 2h;

DOI:10.1016/j.bmc.2012.11.006

upstream raw materials:

benzamidine monohydrochloride

chlorothio-trichloro-methane

N-Nitroso-3-phenyl-1,2,4-thiadiazol-5-amin

trichloromethyl mercaptan

Downstream raw materials:

N-(3-phenyl-[1,2,4]thiadiazol-5-yl)-acetamide

diisobutyl-(3-phenyl-[1,2,4]thiadiazol-5-yl)-amine

(2,5-dichloro-phenyl)-(3-phenyl-[1,2,4]thiadiazol-5-yl)-amine

3-phenyl-[1,2,4]thiadiazole-5-carboxylic acid amide