5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine

Base Information

• Chemical Name: 5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine
• CAS No.: 28004-63-9
• Molecular Formula: C8H5 Cl2 N3 S
• Molecular Weight: 246.12
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID40950691
• Nikkaji Number: J3.406.821F
• Wikidata: Q72467707
• ChEMBL ID: CHEMBL1534367
• Mol file: 28004-63-9.mol

Synonyms:5-(2,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine;28004-63-9;1,3,4-Thiadiazol-2-amine, 5-(2,4-dichlorophenyl)-;2-Amino-5-(2,4-dichlorophenyl)-1,3,4-thiadiazole;CHEMBL1534367;5-(2,4-DICHLOROPHENYL)-[1,3,4]THIADIAZOL-2-YL-AMINE;Cambridge id 5313490;Oprea1_526649;Oprea1_743933;MLS000712128;SCHEMBL3434993;DTXSID40950691;HMS2639G12;HMS3362F09;BDBM50502009;MFCD00475836;STK006677;AKOS000225675;NCGC00245158-01;DS-16619;SMR000281895;BB 0253995;CS-0072964;FT-0716637;EN300-235892;AB00080211-01;A913500;AG-690/36545027;SR-01000400160;5-(o,p-Dichlorophenyl)-1,3,4-thiadiazole-2-amine;SR-01000400160-1;5-(2,4-dichlorophenyl)-[1,3,4]thiadiazol-2-ylamine;5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2(3H)-imine;F1386-0069

Chemical Property of 5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine

Chemical Property:

• Vapor Pressure: 4.21E-07mmHg at 25°C
• Melting Point: 240-242℃ (ethanol water )
• Boiling Point: 415.2°Cat760mmHg
• Flash Point: 204.9°C
• PSA: 80.04000
• Density: 1.569g/cm³
• LogP: 3.67530
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 244.9581237
• Heavy Atom Count: 14
• Complexity: 207

Purity/Quality:

97% ^*data from raw suppliers

5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C2=NN=C(S2)N

Technology Process of 5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine

There total 4 articles about 5-(2,4-Dichlorophenyl)-1,3,4-thiadiazol-2-amine 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: 89.0%

1-(2,4-dichlorobenzoyl)-3-thiosemicarbazide (26036-09-9) → 5-(2,4-dichloro-phenyl)-[1,3,4]thiadiazol-2-ylamine (28004-63-9)

Guidance literature:

With phosphoric acid; at 120 ℃; for 0.5h;

Reference yield: 84.0%

(2,4-dichlorobenzylidenehydrazinyl)thiocarboxamide (6957-92-2) → 5-(2,4-dichloro-phenyl)-[1,3,4]thiadiazol-2-ylamine (28004-63-9)

Guidance literature:

With iron(III) chloride; In water; for 0.05h; Microwave irradiation; Sonication; Green chemistry;

DOI:10.1007/s00706-012-0846-x

Reference yield: 82.0%

2,4 dichlorobenzoic acid (50-84-0) + thiosemicarbazide (79-19-6) → 5-(2,4-dichloro-phenyl)-[1,3,4]thiadiazol-2-ylamine (28004-63-9)

Guidance literature:

With trichlorophosphate; Reflux;

DOI:10.5012/bkcs.2010.31.8.2345

upstream raw materials:

(2,4-dichlorobenzylidenehydrazinyl)thiocarboxamide

1-(2,4-dichlorobenzoyl)-3-thiosemicarbazide

2,4 dichlorobenzoic acid

thiosemicarbazide

Downstream raw materials:

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

2-(2,4-Dichloro-phenyl)-5-methyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-7-thione

2-(2,4-Dichloro-phenyl)-5-phenyl-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-7-thione

2,5-Bis-(2,4-dichloro-phenyl)-[1,3,4]thiadiazolo[3,2-a][1,3,5]triazine-7-thione