3-Chloro-5-phenylisothiazole-4-carbonitrile

Base Information

Chemical Name:3-Chloro-5-phenylisothiazole-4-carbonitrile
CAS No.:28989-23-3
Molecular Formula:C10H5 Cl N2 S
Molecular Weight:220.682
Hs Code.:2934999090
DSSTox Substance ID:DTXSID00351246
Nikkaji Number:J1.943.811B
Wikidata:Q82127498
Mol file:28989-23-3.mol

Synonyms:3-CHLORO-5-PHENYLISOTHIAZOLE-4-CARBONITRILE;28989-23-3;3-chloro-5-phenyl-1,2-thiazole-4-carbonitrile;MFCD00046083;ChemDiv2_000874;3-Chloro-5-phenyl-isothiazole-4-carbonitrile;SCHEMBL8283929;DTXSID00351246;YLULGDCWLXHHOY-UHFFFAOYSA-N;HMS1371H16;STL508269;AKOS001666607;CCG-112503;LS-06050;3-chloro-5-phenyl-4-isothiazolecarbonitrile;EU-0045842;FT-0615438;A912492;SR-01000499376;SR-01000499376-1;F0918-2792

Suppliers and Price of 3-Chloro-5-phenylisothiazole-4-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
3-Chloro-5-phenylisothiazole-4-carbonitrile
500mg
$ 252.00

Crysdot
3-Chloro-5-phenylisothiazole-4-carbonitrile 97%
5g
$ 752.00

Biosynth Carbosynth
3-Chloro-5-phenylisothiazole-4-carbonitrile
500 mg
$ 150.00

Biosynth Carbosynth
3-Chloro-5-phenylisothiazole-4-carbonitrile
250 mg
$ 85.00

Biosynth Carbosynth
3-Chloro-5-phenylisothiazole-4-carbonitrile
2 g
$ 434.00

Biosynth Carbosynth
3-Chloro-5-phenylisothiazole-4-carbonitrile
5 g
$ 868.00

Biosynth Carbosynth
3-Chloro-5-phenylisothiazole-4-carbonitrile
1 g
$ 255.00

American Custom Chemicals Corporation
3-CHLORO-5-PHENYLISOTHIAZOLE-4-CARBONITRILE 95.00%
0.5G
$ 682.00

Alichem
3-Chloro-5-phenylisothiazole-4-carbonitrile
1g
$ 882.75

AK Scientific
3-Chloro-5-phenylisothiazole-4-carbonitrile
1g
$ 394.00

Total 7 raw suppliers

Chemical Property of 3-Chloro-5-phenylisothiazole-4-carbonitrile

Chemical Property:

Melting Point:85℃
PSA：64.92000
LogP:3.33518
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:219.9861970
Heavy Atom Count:14
Complexity:244

Purity/Quality:

≥99% ^*data from raw suppliers

3-Chloro-5-phenylisothiazole-4-carbonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Hazard Codes: Xn:Harmful;
Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38:Irritating to eyes, respiratory system
Safety Statements: S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39:Wear suitabl

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=C(C(=NS2)Cl)C#N

Technology Process of 3-Chloro-5-phenylisothiazole-4-carbonitrile

There total 8 articles about 3-Chloro-5-phenylisothiazole-4-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: 99.0%

: potassium phenyltrifluoborate

: 2120-82-3
3,5-dichloro-4-cyano isothiazole

: 28989-23-3
3-chloro-5-phenyl-1,2-thiazole-4-carbonitrile

Guidance literature:: With 18-crown-6 ether; potassium carbonate; palladium diacetate; In toluene; at 110 ℃; for 2h;
DOI:10.1039/b306005e

Reference yield: 97.0%

: 2120-82-3
3,5-dichloro-4-cyano isothiazole

: 98-80-6
phenylboronic acid

: 28989-23-3
3-chloro-5-phenyl-1,2-thiazole-4-carbonitrile

Guidance literature:: With potassium fluoride; 18-crown-6 ether; palladium diacetate; In toluene; at 110 ℃; for 3h;
DOI:10.1039/b306005e

Reference yield: 96.0%

: 591-50-4
iodobenzene

: 915395-41-4
3-chloroisothiazole-4-carbonitrile

: 28989-23-3
3-chloro-5-phenyl-1,2-thiazole-4-carbonitrile

Guidance literature:: With bis(triphenylphosphine)palladium(II) dichloride; silver fluoride; triphenylphosphine; In acetonitrile; at 20 - 82 ℃; for 0.416667h;
DOI:10.1021/ol200196m