Benzoic acid, 5-chloro-2-[(2-methylphenyl)thio]-

Base Information

Chemical Name:Benzoic acid, 5-chloro-2-[(2-methylphenyl)thio]-
CAS No.:93288-98-3
Molecular Formula:C₁₄H₁₁ClO₂S
Molecular Weight:278.759
Hs Code.:
DSSTox Substance ID:DTXSID70524309
Wikidata:Q82391077

Synonyms:93288-98-3;Benzoic acid, 5-chloro-2-[(2-methylphenyl)thio]-;5-Chloro-2-(2-methylphenyl)sulfanylbenzoic acid;DTXSID70524309;AKOS010874031;5-Chloro-2-[(2-methylphenyl)sulfanyl]benzoic acid;A1-05438

Suppliers and Price of Benzoic acid, 5-chloro-2-[(2-methylphenyl)thio]-

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
5-Chloro-2-(2-methylphenyl)sulfanylbenzoic acid 95%
2.500g
$ 1403.00

A1 Biochem Labs
5-Chloro-2-(2-methylphenyl)sulfanylbenzoicacid 95%
2.5 g
$ 850.00

Total 0 raw suppliers

Chemical Property of Benzoic acid, 5-chloro-2-[(2-methylphenyl)thio]-

Chemical Property:

PSA：62.60000
LogP:4.49780
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:278.0168285
Heavy Atom Count:18
Complexity:298

Purity/Quality:: 5-Chloro-2-(2-methylphenyl)sulfanylbenzoic acid 95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=CC=C1SC2=C(C=C(C=C2)Cl)C(=O)O

Technology Process of Benzoic acid, 5-chloro-2-[(2-methylphenyl)thio]-

There total 1 articles about Benzoic acid, 5-chloro-2-[(2-methylphenyl)thio]- 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:

: 13421-00-6
5-chloro-2-iodo-benzoic acid

: 137-06-4
2-thiocresol

: 93288-98-3
5-chloro-2-(2-methylphenylthio)benzoic acid

Guidance literature:: With potassium hydroxide; copper; In water; for 11h; Yield given; Heating;

Reference yield:

: 93288-98-3
5-chloro-2-(2-methylphenylthio)benzoic acid

: 93289-00-0
5-chloro-2-(2-methylphenyllthio)benzyl chloride

Guidance literature:: Multi-step reaction with 2 steps

1: NaBH₄,BF_3.O(C₂H₅)2 / tetrahydrofuran / 1)mixed at 15 deg C 2)stirred 3h room temp. 3)stand overnight

2: SOCl₂ / pyridine / 1)stirred 2h at 20 deg C 2)stand overnight 3)35 - 40 deg C, 1h

With sodium tetrahydroborate; thionyl chloride; boron trifluoride diethyl etherate; In tetrahydrofuran; pyridine;

Reference yield:

: 93288-98-3
5-chloro-2-(2-methylphenylthio)benzoic acid

: 93289-01-1
1-<5-chloro-2-(2-methylphenylthio)benzyl>-4-methylpiperazine

Guidance literature:: Multi-step reaction with 3 steps

1: NaBH₄,BF_3.O(C₂H₅)2 / tetrahydrofuran / 1)mixed at 15 deg C 2)stirred 3h room temp. 3)stand overnight

2: SOCl₂ / pyridine / 1)stirred 2h at 20 deg C 2)stand overnight 3)35 - 40 deg C, 1h

3: CHCl₃ / 10 h / Heating

With sodium tetrahydroborate; thionyl chloride; boron trifluoride diethyl etherate; In tetrahydrofuran; pyridine; chloroform;