2-Amino-6-chlorobenzothiazole

Base Information

• Chemical Name: 2-Amino-6-chlorobenzothiazole
• CAS No.: 95-24-9
• Molecular Formula: C7H5 Cl N2 S
• Molecular Weight: 184.649
• Hs Code.: 29349990
• European Community (EC) Number: 202-402-3
• UNII: 2U337T5UFG
• DSSTox Substance ID: DTXSID4059120
• Nikkaji Number: J37.322B
• Wikidata: Q27455470
• ChEMBL ID: CHEMBL97643
• Mol file: 95-24-9.mol

Synonyms:2-Amino-6-chlorobenzothiazole;95-24-9;6-Chlorobenzothiazol-2-ylamine;6-Chloro-1,3-benzothiazol-2-amine;2-Benzothiazolamine, 6-chloro-;6-chlorobenzo[d]thiazol-2-amine;6-Chloro-2-benzothiazolamine;6-Chloro-benzothiazol-2-ylamine;BENZOTHIAZOLE, 2-AMINO-6-CHLORO-;EINECS 202-402-3;MFCD00053557;2-Amino-6-chloro-1,3-benzothiazole;BRN 0127752;2-AMINO-6-CHLOROBENZO[D]THIAZOLE;6-chloro-2-aminobenzothiazole;2U337T5UFG;4-27-00-04862 (Beilstein Handbook Reference);6-CHLOROBENZO(D)THIAZOL-2-AMINE;54T;Maybridge1_001187;UNII-2U337T5UFG;SCHEMBL77839;6-chlorbenzothiazol-2-ylamin;6-Chlorobenzothiazol-2-amine;MLS001005225;BIDD:GT0846;CHEMBL97643;2-amino-6-chloro-benzothiazole;6-chloro-2-amino benzothiazole;6-chloro-2-benzothiazole-amine;DTXSID4059120;HMS544N21;HMS2666D12;BCP27085;STR07530;AC-037;CCG-51735;GEO-02880;STK071371;2-Amino-6-chlorobenzothiazole, 99%;6-chloro-1,3-benzothiazol-2-ylamine;6-CHLORO-2-BENZOTHIAZOLYLAMINE;AKOS000104169;PS-8511;6-Chloro-1,3-benzothiazol-2-amine #;NCGC00246061-01;LS-40664;SMR000348635;SY014143;6-chloro-1,3-benzothiazol-2-amine (BT1);A1216;AM20041457;BB 0245856;CS-0040190;FT-0631483;EN300-17160;D70122;Benzenepropanoic acid, 3,4-dimethoxy-.alpha.-oxo-;SR-01000641019-1;W-100169;Q27455470;Z56896352;F1911-0017

Chemical Property of 2-Amino-6-chlorobenzothiazole

Chemical Property:

• Appearance/Colour: Off-white powder.
• Melting Point: 197-201 ºC
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 344.3 ºC at 760 mmHg
• PKA: 3.30±0.10(Predicted)
• Flash Point: 162 ºC
• PSA: 67.15000
• Density: 1.532 g/cm³
• LogP: 3.11310
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: soluble in Methanol
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 183.9861970
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-6-chlorobenzothiazole ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC2=C(C=C1Cl)SC(=N2)N

Technology Process of 2-Amino-6-chlorobenzothiazole

There total 26 articles about 2-Amino-6-chlorobenzothiazole 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: 99.0%

potassium thioacyanate (333-20-0) + 4-chloro-aniline (106-47-8) → 6-chloro-2-aminobenzothiazole (95-24-9)

Guidance literature:

With sodium iodide dichloride; at 70 ℃; for 2h;

DOI:10.1055/s-0032-1317080

Reference yield: 96.0%

ammonium thiocyanate + 4-chloro-aniline (106-47-8) → 6-chloro-2-aminobenzothiazole (95-24-9)

Guidance literature:

With bromine; In acetic acid; at 10 ℃; for 0.5h;

DOI:10.1002/jhet.5570180425

Reference yield: 91.0%

ammonium thiocyanate (1147550-11-5) + 4-chloro-aniline (106-47-8) → 6-chloro-2-aminobenzothiazole (95-24-9)

Guidance literature:

With bromine; In acetic acid; at 10 ℃; for 12h;

DOI:10.1021/acs.joc.8b02098

upstream raw materials:

2-amino-benzthiazole

benzothiazole-2,6-diamine

potassium thioacyanate

4-chloro-aniline

Downstream raw materials:

2-bromo-propionic acid-(6-chloro-benzothiazol-2-ylamide)

N-phenyl-N'-(6-chloro)benzothiazolylthiocarbamide

6-chloro-3-methyl-3H-benzothiazol-2-ylideneamine

6-chloro-N-methylbenzo[d]thiazol-2-amine

Refernces

• 1、 Zhang, Yan,Li, Yuxin,Li, Huan,Shang, Junfeng,Li, Zhengming,Wang, Baolei. "Synthesis and insecticidal evaluation of novel sulfide-containing amide derivatives as potential ryanodine receptor modulators". supporting information. p. 501 - 507. Retrieved 2021/06/15.
• 2、 Akhtar, Md Jawaid,Debnath, Biplab,Grover, Gourav,Nath, Rajarshi,Pathania, Shelly,Shahar Yar, M.. "Synthesis and anticonvulsant evaluation of indoline derivatives of functionalized aryloxadiazole amine and benzothiazole acetamide". . . Retrieved 2020/12/25.