2-(1,2-Benzothiazol-3-yl)acetonitrile

Base Information

Chemical Name:2-(1,2-Benzothiazol-3-yl)acetonitrile
CAS No.:37839-44-4
Molecular Formula:C9H6N2S
Molecular Weight:174.22200
Hs Code.:
European Community (EC) Number:821-351-3
DSSTox Substance ID:DTXSID801296268
Mol file:37839-44-4.mol

Synonyms:2-(1,2-benzothiazol-3-yl)acetonitrile;37839-44-4;1,2-Benzisothiazole-3-acetonitrile;1,2-benzisothiazol-3-ylacetonitrile;SCHEMBL7457162;DTXSID801296268;AKOS006279339;EN300-252098;AA-516/30012055;Z1198158705

Suppliers and Price of 2-(1,2-Benzothiazol-3-yl)acetonitrile

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

American Custom Chemicals Corporation
1,2-BENZISOTHIAZOL-3-YLACETONITRILE 95.00%
5MG
$ 495.46

AK Scientific
2-(1,2-Benzothiazol-3-yl)acetonitrile
250mg
$ 147.00

AK Scientific
2-(1,2-Benzothiazol-3-yl)acetonitrile
500mg
$ 185.00

aablocks
2-(1,2-benzothiazol-3-yl)acetonitrile 95%
1g
$ 169.00

aablocks
2-(1,2-benzothiazol-3-yl)acetonitrile 95%
500mg
$ 122.00

aablocks
2-(1,2-benzothiazol-3-yl)acetonitrile 95%
250mg
$ 89.00

aablocks
2-(1,2-benzothiazol-3-yl)acetonitrile 95%
100mg
$ 77.00

Total 4 raw suppliers

Chemical Property of 2-(1,2-Benzothiazol-3-yl)acetonitrile

Chemical Property:

PSA：64.92000
LogP:2.36238
XLogP3:2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:174.02516937
Heavy Atom Count:12
Complexity:208

Purity/Quality:

97% ^*data from raw suppliers

1,2-BENZISOTHIAZOL-3-YLACETONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C2C(=C1)C(=NS2)CC#N

Technology Process of 2-(1,2-Benzothiazol-3-yl)acetonitrile

There total 5 articles about 2-(1,2-Benzothiazol-3-yl)acetonitrile 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:

: 29920-13-6
benzo[d]isothiazol-3-yl-cyano-acetic acid ethyl ester

: 37839-44-4
2-(1,2-benzisothiazol-3-yl)acetonitrile

Guidance literature:: In water; dimethyl sulfoxide; at 100 ℃; for 24h;
DOI:10.1039/P19720003006

Reference yield:

: 29266-67-9
1,2-Benzisothiazol-3-yl-acetic acid ethyl ester

: 37839-44-4
2-(1,2-benzisothiazol-3-yl)acetonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: aq. NH₃ / ethanol / Ambient temperature

2: POCl₃ / Heating

With ammonium hydroxide; trichlorophosphate; In ethanol;
DOI:10.1039/P19720003006

Reference yield:

: 34761-08-5
benzo[d]isothiazol-3-yl-malonic acid diethyl ester

: 37839-44-4
2-(1,2-benzisothiazol-3-yl)acetonitrile

Guidance literature:: Multi-step reaction with 3 steps

1: NaOEt, urea / ethanol / Heating

2: aq. NH₃ / ethanol / Ambient temperature

3: POCl₃ / Heating

With ammonium hydroxide; sodium ethanolate; urea; trichlorophosphate; In ethanol;
DOI:10.1039/P19720003006