2-Amino-5,6-dichlorobenzothiazole

Base Information

• Chemical Name: 2-Amino-5,6-dichlorobenzothiazole
• CAS No.: 24072-75-1
• Molecular Formula: C7H4Cl2N2S
• Molecular Weight: 219.094
• Hs Code.: H4Cl2N2S MOL WT. 219.09
• European Community (EC) Number: 246-006-9
• UNII: Z7P3YF9P8H
• DSSTox Substance ID: DTXSID5024477
• Nikkaji Number: J52.320H
• Wikidata: Q72465547
• Mol file: 24072-75-1.mol

Synonyms:24072-75-1;2-Amino-5,6-dichlorobenzothiazole;5,6-Dichlorobenzo[d]thiazol-2-amine;5,6-DICHLORO-2-BENZOTHIAZOLAMINE;5,6-Dichloro-1,3-benzothiazol-2-amine;2-Benzothiazolamine, 5,6-dichloro-;CCRIS 742;5,6-Dichlorobenzothiazol-2-amine;EINECS 246-006-9;5,6-Dichlorobenzothiazol-2-yl-amine;Benzothiazole, 2-amino-5,6-dichloro-;Z7P3YF9P8H;UNII-Z7P3YF9P8H;SCHEMBL2899732;DTXSID5024477;5,6-dichloro-2-aminobenzothiazole;AMY17972;STR04172;ZAA07275;2-Amino-5,6-dichloro-benzothiazole;MFCD00053558;AKOS008901401;LS-1037;AC-27291;5,6-dichloro-1,3-benzothiazol-2-ylamine;5,6-Dichloro-1,3-benzothiazol-2-amine #;CS-0096145;DICHLORO-2-BENZOTHIAZOLAMINE, 5,6-;S12410;W-107352

Chemical Property of 2-Amino-5,6-dichlorobenzothiazole

Chemical Property:

• Appearance/Colour: White solid or powder
• Vapor Pressure: 5.73E-06mmHg at 25°C
• Melting Point: 175-180 °C
• Refractive Index: 1.761
• Boiling Point: 379.7 °C at 760 mmHg
• PKA: 2.79±0.10(Predicted)
• Flash Point: 183.5 °C
• PSA: 67.15000
• Density: 1.654 g/cm³
• LogP: 3.76650
• Storage Temp.: 2-8°C(protect from light)
• Water Solubility.: <0.1 g/100 mL at 17℃
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 217.9472247
• Heavy Atom Count: 12
• Complexity: 181

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-5,6-dichlorobenzothiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C2C(=CC(=C1Cl)Cl)SC(=N2)N

Technology Process of 2-Amino-5,6-dichlorobenzothiazole

There total 11 articles about 2-Amino-5,6-dichlorobenzothiazole 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: 26.0%

ammonium thiocyanate (1147550-11-5) + m,p-dichloroaniline (95-76-1) → 2-Amino-5,6-dichlorobenzothiazole (24072-75-1) + 6,7-dichloro-1,3-benzothiazol-2-amine (25150-27-0)

Guidance literature:

ammonium thiocyanate; m,p-dichloroaniline; In acetic acid; at 0 ℃;

With bromine; In acetic acid; at 20 ℃; for 1h;

DOI:10.1515/HC.2002.8.3.275

Reference yield: 19.0%

potassium thioacyanate (333-20-0) + m,p-dichloroaniline (95-76-1) → 2-Amino-5,6-dichlorobenzothiazole (24072-75-1)

Guidance literature:

With bromine; acetic acid; at 0 - 15 ℃; for 16h;

Reference yield:

3,4-dichlorophenylthiourea (19250-09-0) → 2-Amino-5,6-dichlorobenzothiazole (24072-75-1) + 6,7-dichloro-1,3-benzothiazol-2-amine (25150-27-0)

Guidance literature:

With sulfuric acid; ammonium bromide; at 100 ℃; for 0.75h;

upstream raw materials:

potassium thioacyanate

m,p-dichloroaniline

ammonium thiocyanate

3,4-dichlorophenylthiourea

Downstream raw materials:

2-Amino-4,5-dichloro-benzenethiol

C₁₂H₈Cl₄N₂S₂

[2-(2-amino-4,5-dichloro-phenylsulfanylmethyl)-phenyl]-methanol

2-(2-amino-4,5-dichloro-phenylsulfanylmethyl)-benzoic acid methyl ester