4,5-Bis(4-chlorophenyl)-4h-1,2,4-triazole-3-thiol

Base Information

Chemical Name:4,5-Bis(4-chlorophenyl)-4h-1,2,4-triazole-3-thiol
CAS No.:31405-28-4
Molecular Formula:C14H9 Cl2 N3 S
Molecular Weight:322.21
Hs Code.:
DSSTox Substance ID:DTXSID601324144
Nikkaji Number:J3.462.112H
ChEMBL ID:CHEMBL1439531
Mol file:31405-28-4.mol

Synonyms:4,5-bis(4-chlorophenyl)-4h-1,2,4-triazole-3-thiol;31405-28-4;3,4-bis(4-chlorophenyl)-1H-1,2,4-triazole-5-thione;bis(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol;CBMicro_036064;MLS001208671;CHEMBL1439531;4,5-Bis-(4-chloro-phenyl)-4H-[1,2,4]triazole-3-thiol;DTXSID601324144;HMS2840A11;AKOS000268569;CCG-318798;SMR000515335;BIM-0036109.P001;CS-0220563;EN300-06949;Z56276649;4,5-Bis-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol;4,5-Bis-(4-chlorophenyl)-4H-[1,2,4]triazole-3-thiol

Suppliers and Price of 4,5-Bis(4-chlorophenyl)-4h-1,2,4-triazole-3-thiol

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
4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
2.5G
$ 852.21

American Custom Chemicals Corporation
4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
1G
$ 648.81

American Custom Chemicals Corporation
4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00%
5G
$ 1005.43

AK Scientific
4,5-Bis(4-chlorophenyl)-4h-1,2,4-triazole-3-thiol
10g
$ 1337.00

AK Scientific
4,5-Bis(4-chlorophenyl)-4h-1,2,4-triazole-3-thiol
5g
$ 934.00

Total 5 raw suppliers

Chemical Property of 4,5-Bis(4-chlorophenyl)-4h-1,2,4-triazole-3-thiol

Chemical Property:

Vapor Pressure:1.14E-07mmHg at 25°C
Boiling Point:432°Cat760mmHg
Flash Point:215.1°C
PSA：69.51000
Density:1.46g/cm³
LogP:4.52980
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:320.9894239
Heavy Atom Count:20
Complexity:399

Purity/Quality:

99% ^*data from raw suppliers

4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1C2=NNC(=S)N2C3=CC=C(C=C3)Cl)Cl

Technology Process of 4,5-Bis(4-chlorophenyl)-4h-1,2,4-triazole-3-thiol

There total 9 articles about 4,5-Bis(4-chlorophenyl)-4h-1,2,4-triazole-3-thiol 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: 73.0%

: C₁₄H₁₁Cl₂N₃S

: 31405-28-4
4,5-bis(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: With copper(ll) bromide; In dimethyl sulfoxide; at 80 ℃; for 0.5h;
DOI:10.1021/acs.joc.5b00956

Reference yield:

: 31409-10-6
1-[(4′-chlorophenyl)carbonyl-4-(4″-chlorophenyl)]thiosemicarbazide

: 31405-28-4
4,5-bis(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: With sodium hydroxide; at 80 - 90 ℃; for 1.5h;
DOI:10.1016/0223-5234(90)90015-U

Reference yield:

: 2131-55-7
4-Chlorophenyl isothiocyanate

: 31405-28-4
4,5-bis(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Guidance literature:: Multi-step reaction with 2 steps

1: dioxane / 30 - 35 °C

2: aq. NaOH / 1.5 h / 80 - 90 °C

With sodium hydroxide; In 1,4-dioxane;
DOI:10.1016/0223-5234(90)90015-U