3-Chloro-2,1-benzothiazole

Base Information

Chemical Name:3-Chloro-2,1-benzothiazole
CAS No.:34231-96-4
Molecular Formula:C₇H₄ClNS
Molecular Weight:169.634
Hs Code.:
European Community (EC) Number:820-682-0
DSSTox Substance ID:DTXSID00480626
Wikidata:Q82315550
Mol file:34231-96-4.mol

Synonyms:3-chloro-2,1-benzothiazole;3-Chlorobenzo[c]isothiazole;34231-96-4;3-chloro-2,1-benzisothiazole;SCHEMBL11085745;DTXSID00480626;CIFCCUQGFJASPU-UHFFFAOYSA-N;AKOS022174704;CS-0216894;EN300-64454;F1902-0038;Z992921742

Suppliers and Price of 3-Chloro-2,1-benzothiazole

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-chloro-2,1-benzothiazole
50mg
$ 90.00

TRC
3-chloro-2,1-benzothiazole
25mg
$ 45.00

Crysdot
3-Chlorobenzo[c]isothiazole 95+%
5g
$ 746.00

Chemenu
3-chlorobenzo[c]isothiazole 95%
5g
$ 704.00

American Custom Chemicals Corporation
3-CHLORO-2,1-BENZOTHIAZOLE 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
3-CHLORO-2,1-BENZOTHIAZOLE 95.00%
2.5G
$ 1227.82

American Custom Chemicals Corporation
3-CHLORO-2,1-BENZOTHIAZOLE 95.00%
1G
$ 852.55

Alichem
3-Chlorobenzo[c]isothiazole
1g
$ 400.00

Total 3 raw suppliers

Chemical Property of 3-Chloro-2,1-benzothiazole

Chemical Property:

Vapor Pressure:0.019mmHg at 25°C
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:168.9752980
Heavy Atom Count:10
Complexity:131

Purity/Quality:

99% ^*data from raw suppliers

3-chloro-2,1-benzothiazole ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(SN=C2C=C1)Cl

Technology Process of 3-Chloro-2,1-benzothiazole

There total 6 articles about 3-Chloro-2,1-benzothiazole 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: 67.0%

: 40352-87-2
2,1-benzisothiazolin-3(1H)-one

: 34231-96-4
3-chloro-2,1-benzisothiazole

Guidance literature:: With pyridine; trichlorophosphate; at 130 - 140 ℃;
DOI:10.1021/jm00153a010

Reference yield:

: 42963-35-9
benzisothiazol-2,1 ol-3 (1H)

: 34231-96-4
3-chloro-2,1-benzisothiazole

Guidance literature:: With pyridine; trichlorophosphate; at 130 - 140 ℃; for 1h;

Reference yield:

: 118-48-9
isatoic anhydride

: 34231-96-4
3-chloro-2,1-benzisothiazole

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) H₂S, aq. NaOH, 2.) 15percent H₂O₂ / 1.) RT

2: 67 percent / POCl₃, pyridine / 130 - 140 °C

With pyridine; sodium hydroxide; hydrogen sulfide; dihydrogen peroxide; trichlorophosphate;
DOI:10.1021/jm00153a010