3,4-Dichloroisothiazole-5-carbonitrile

Base Information

Chemical Name:3,4-Dichloroisothiazole-5-carbonitrile
CAS No.:18480-52-9
Molecular Formula:C4Cl2N2S
Molecular Weight:179.02700
Hs Code.:2934999090
European Community (EC) Number:832-440-1
DSSTox Substance ID:DTXSID10599455
Nikkaji Number:J3.420.944H
Wikidata:Q72465881
Mol file:18480-52-9.mol

Synonyms:3,4-Dichloroisothiazole-5-carbonitrile;18480-52-9;5-Cyano-3,4-dichloroisothiazole;3,4-dichloro-1,2-thiazole-5-carbonitrile;3,4-dichloro-isothiazole-5-carbonitrile;MFCD09743745;5-Isothiazolecarbonitrile, 3,4-dichloro-;DICHLORO-1,2-THIAZOLE-5-CARBONITRILE;3,4-dichloro-5-cyanoisothiazole;SCHEMBL102820;DTXSID10599455;YPWIGSYXDIIQNP-UHFFFAOYSA-N;STL433147;AKOS006331495;AC-36708;AS-37207;DB-065492;CS-0089390;EN300-183747;A812891;3,4-dichloro-isothiazole-5-carbonitrile, AldrichCPR;J-011845

Suppliers and Price of 3,4-Dichloroisothiazole-5-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

TRC
3,4-Dichloroisothiazole-5-carbonitrile
250mg
$ 240.00

TRC
3,4-Dichloroisothiazole-5-carbonitrile
50mg
$ 65.00

SynQuest Laboratories
3,4-Dichloroisothiazole-5-carbonitrile 95%
250 mg
$ 280.00

SynQuest Laboratories
3,4-Dichloroisothiazole-5-carbonitrile 95%
1 g
$ 784.00

Matrix Scientific
3,4-Dichloroisothiazole-5-carbonitrile 97%
5g
$ 900.00

Matrix Scientific
3,4-Dichloroisothiazole-5-carbonitrile 97%
25g
$ 2700.00

Crysdot
3,4-Dichloroisothiazole-5-carbonitrile 95%
1g
$ 330.00

Chemenu
3,4-dichloroisothiazole-5-carbonitrile 95%
1g
$ 309.00

AstaTech
5-CYANO-3,4-DICHLOROISOTHIAZOLE 97%
5 / G
$ 1116.00

AstaTech
5-CYANO-3,4-DICHLOROISOTHIAZOLE 97%
1 / G
$ 372.00

Total 16 raw suppliers

Chemical Property of 3,4-Dichloroisothiazole-5-carbonitrile

Chemical Property:

Vapor Pressure:3.19mmHg at 25°C
Melting Point:81-83oC
Boiling Point:154.4oC at 760 mmHg
PKA:-3.52±0.10(Predicted)
Flash Point:47.2oC
PSA：64.92000
Density:1.7g/cm3
LogP:2.32158
Storage Temp.:2-8°C
XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:177.9159246
Heavy Atom Count:9
Complexity:154

Purity/Quality:

97% ^*data from raw suppliers

3,4-Dichloroisothiazole-5-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 25
Safety Statements: 45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(#N)C1=C(C(=NS1)Cl)Cl

Technology Process of 3,4-Dichloroisothiazole-5-carbonitrile

There total 14 articles about 3,4-Dichloroisothiazole-5-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: 76.0%

: 110-61-2
butanedinitrile

: 18480-52-9
3,4-dichloro-5-cyanoisothiazole

Guidance literature:: butanedinitrile; With sulfur; at 120 ℃;

With chlorine; at 120 - 125 ℃; for 22h; Temperature;

Reference yield: 68.0%

: (Z)-2-bromo-2-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-acetonitrile

: 3-chloroisothiazole-5-carbonitrile

: 3-bromo-4-chloroisothiazole-5-carbonitrile

: 81910-94-3
3,4-dibromo-5-isothiazolecarbonitrile

: 18480-52-9
3,4-dichloro-5-cyanoisothiazole

Guidance literature:: With hydrogenchloride; In diethyl ether; at 20 ℃; for 5h; Solvent;
DOI:10.1039/c3ra47261b

Reference yield: 64.0%

: 201298-89-7
2-chloro-2-(4-chloro-5H-1,2,3-dithiazol-5-ylidene)-acetonitrile

: 18480-52-9
3,4-dichloro-5-cyanoisothiazole

Guidance literature:: With hydrogenchloride; In diethyl ether; at 20 ℃; for 48h; Reagent/catalyst; Solvent; Temperature;
DOI:10.1039/c3ra47261b