1-[(Phenylthio)methyl]-1H-benzotriazole

Base Information

Chemical Name:1-[(Phenylthio)methyl]-1H-benzotriazole
CAS No.:111198-03-9
Molecular Formula:C13H11 N3 S
Molecular Weight:241.316
Hs Code.:
European Community (EC) Number:631-214-8
DSSTox Substance ID:DTXSID60357486
Nikkaji Number:J719.922H
Wikidata:Q82137413
Mol file:111198-03-9.mol

Synonyms:111198-03-9;1-[(Phenylthio)methyl]-1H-benzotriazole;1-(phenylsulfanylmethyl)benzotriazole;1-((Phenylthio)methyl)-1H-benzo[d][1,2,3]triazole;1-((phenylthio)methyl)-1h-benzotriazole;BIDD:GT0012;SCHEMBL2493534;benzotriazol-1-ylphenylthiomethane;DTXSID60357486;AKOS015889145;1-[(Phenylsulfanyl)methyl]-1H-benzotriazole;1-[(Phenylthio)methyl]-1H-benzotriazole, 97%;1-(phenylthiomethyl)-1H-benzo[d][1,2,3]triazole;J-002541

Suppliers and Price of 1-[(Phenylthio)methyl]-1H-benzotriazole

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

Sigma-Aldrich
1-[(Phenylthio)methyl]-1H-benzotriazole 97%
1g
$ 90.20

Sigma-Aldrich
1-[(Phenylthio)methyl]-1H-benzotriazole 97%
250mg
$ 33.90

Oakwood
1-[(Phenylthio)methyl]-1H-benzotriazole 97%
250mg
$ 32.00

Crysdot
1-((Phenylthio)methyl)-1H-benzo[d][1,2,3]triazole 97%
10g
$ 307.00

Chemenu
1-((phenylthio)methyl)-1H-benzo[d][1,2,3]triazole 97%
10g
$ 290.00

American Custom Chemicals Corporation
1-[(PHENYLTHIO)METHYL]-1H-BENZOTRIAZOLE 95.00%
1G
$ 695.39

Total 3 raw suppliers

Chemical Property of 1-[(Phenylthio)methyl]-1H-benzotriazole

Chemical Property:

Melting Point:89-92 °C(lit.)
Boiling Point:418.4±28.0 °C(Predicted)
PKA:1.27±0.30(Predicted)
PSA：56.01000
Density:1.26±0.1 g/cm3(Predicted)
LogP:3.18110
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:241.06736854
Heavy Atom Count:17
Complexity:243

Purity/Quality:

99.90% ^*data from raw suppliers

1-[(Phenylthio)methyl]-1H-benzotriazole 97% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)SCN2C3=CC=CC=C3N=N2

Technology Process of 1-[(Phenylthio)methyl]-1H-benzotriazole

There total 5 articles about 1-[(Phenylthio)methyl]-1H-benzotriazole 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: 88.0%

: 54187-96-1
1-(chloromethyl)-1H-benzotriazole

: 882-33-7
diphenyldisulfane

: 111198-03-9
1-((phenylthio)methyl)-1H-benzo[d][1,2,3]triazole

Guidance literature:: diphenyldisulfane; With N,N,N,N,N,N-hexamethylphosphoric triamide; samarium diiodide; In tetrahydrofuran; at 40 ℃; for 1h;

1-(chloromethyl)-1H-benzotriazole; In tetrahydrofuran; at 20 ℃; for 14h;
DOI:10.1080/00397919808004912