6-Nitrobenzo[d]thiazole-2-carbonitrile

Base Information

Chemical Name:6-Nitrobenzo[d]thiazole-2-carbonitrile
CAS No.:188672-83-5
Molecular Formula:C8H3 N3 O2 S
Molecular Weight:205.19
Hs Code.:2934200090
DSSTox Substance ID:DTXSID80442742
Nikkaji Number:J814.549K
Wikidata:Q82260196
Mol file:188672-83-5.mol

Synonyms:6-Nitrobenzo[d]thiazole-2-carbonitrile;188672-83-5;6-Nitro-2-benzothiazolecarbonitrile;2-Benzothiazolecarbonitrile, 6-nitro-;6-NITRO-1,3-BENZOTHIAZOLE-2-CARBONITRILE;2-cyano-6-nitrobenzothiazole;C8H3N3O2S;6-nitrobenzothiazole-2-carbonitrile;SCHEMBL2380065;DTXSID80442742;HBTRWBUZKBTJBI-UHFFFAOYSA-N;2-Benzothiazolecarbonitrile,6-nitro-;2-Cyano-6-nitro-1,3 benzothiazole;AKOS016003500;AC-27158;AS-63083;2-Benzothiazolecarbonitrile,6-nitro-(9CI);FT-0757772;A904312

Suppliers and Price of 6-Nitrobenzo[d]thiazole-2-carbonitrile

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

Matrix Scientific
6-Nitrobenzo[d]thiazole-2-carbonitrile 95+%
250mg
$ 416.00

Matrix Scientific
6-Nitrobenzo[d]thiazole-2-carbonitrile 95+%
1g
$ 924.00

Crysdot
6-Nitrobenzo[d]thiazole-2-carbonitrile 95+%
1g
$ 912.00

American Custom Chemicals Corporation
6-NITROBENZO[D]THIAZOLE-2-CARBONITRILE 95.00%
5MG
$ 501.57

Alichem
6-Nitrobenzo[d]thiazole-2-carbonitrile
100g
$ 10452.00

Alichem
6-Nitrobenzo[d]thiazole-2-carbonitrile
25g
$ 4549.30

Alichem
6-Nitrobenzo[d]thiazole-2-carbonitrile
10g
$ 2363.76

AK Scientific
6-Nitrobenzo[d]thiazole-2-carbonitrile
5g
$ 2074.00

Total 13 raw suppliers

Chemical Property of 6-Nitrobenzo[d]thiazole-2-carbonitrile

Chemical Property:

Boiling Point:393.8±34.0 °C(Predicted)
PKA:-4.41±0.10(Predicted)
PSA：110.74000
Density:1.58±0.1 g/cm3(Predicted)
LogP:2.59938
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:204.99459752
Heavy Atom Count:14
Complexity:295

Purity/Quality:

97% ^*data from raw suppliers

6-Nitrobenzo[d]thiazole-2-carbonitrile 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C1[N+](=O)[O-])SC(=N2)C#N

Technology Process of 6-Nitrobenzo[d]thiazole-2-carbonitrile

There total 19 articles about 6-Nitrobenzo[d]thiazole-2-carbonitrile 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: 91.0%

: 773837-37-9
sodium cyanide

: 2407-11-6
2-chloro-6-nitrobenzothiazole

: 188672-83-5
6-nitro-1,3-benzothiazole-2-carbonitrile

Guidance literature:: With 1,4-diaza-bicyclo[2.2.2]octane; In water; acetonitrile; at 20 ℃;

Reference yield: 75.0%

: 1048367-35-6,220301-84-8
(Z)-2-bromo-N-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-4-nitroaniline

: 188672-83-5
6-nitro-1,3-benzothiazole-2-carbonitrile

Guidance literature:: With pyridine; copper(l) iodide; for 0.25h; Heating; microwave irradiation;
DOI:10.1016/S0040-4020(02)01593-4

Reference yield: 74.0%

: 4953-70-2
N-(p-Nitrophenyl)cyanothioformamide

: 188672-83-5
6-nitro-1,3-benzothiazole-2-carbonitrile

Guidance literature:: With copper(l) iodide; tetrabutylammomium bromide; palladium dichloride; In dimethyl sulfoxide; N,N-dimethyl-formamide; at 130 ℃; for 3h;
DOI:10.1021/jacs.5b02774