Chlorbenside

Base Information

• Chemical Name: Chlorbenside
• CAS No.: 103-17-3
• Molecular Formula: C13H10 Cl2 S
• Molecular Weight: 269.194
• Hs Code.: 2930909090
• European Community (EC) Number: 203-084-9
• NSC Number: 33078
• UNII: FLR6R453DD
• DSSTox Substance ID: DTXSID1041766
• Nikkaji Number: J66.347F
• Wikipedia: Chlorbenside
• Wikidata: Q5102919
• Mol file: 103-17-3.mol

Synonyms:chlorbenside;Mitox

Chemical Property of Chlorbenside

Chemical Property:

• Vapor Pressure: 1.83E-05mmHg at 25°C
• Melting Point: 75-76°
• Boiling Point: 374.2 °C at 760 mmHg
• Flash Point: 168.4 °C
• PSA: 25.30000
• Density: 1.32 g/cm³
• LogP: 5.28570
• Storage Temp.: 0-6°C
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 267.9880269
• Heavy Atom Count: 16
• Complexity: 194

Purity/Quality:

98%,99%, ^*data from raw suppliers

Chlorbensid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Skin irritant.
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)Cl
• Recent EU Clinical Trials: Klassische Konditionierung immunologischer Reaktionen bei Patienten mit Multipler Sklerose w?hrend Mitoxantrontherapie
• Physical properties: Chlorbenside is a crystals; almond-like odor (technical grade).Insoluble in water; soluble in aromatic hydrocarbons, acetone. Resistant to acid and alkaline hydrolysis.
• Uses: Chlorbenside is a acaricide, especially for the control of eggs and larvae of red spider mites.

Technology Process of Chlorbenside

There total 12 articles about Chlorbenside 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: 95.0%

(4-chloro-benzyl)-(4-chloro-phenyl)-sulfoxide (7047-28-1) → chlorbenside (103-17-3)

Guidance literature:

With [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; triphenylphosphine; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere; Irradiation;

DOI:10.1021/acscatal.0c00690

Reference yield: 93.0%

S-(4-chlorophenyl)isothiouronium 3,5-dinitrobenzoate + 4-chlorobenzyl bromide (622-95-7) → chlorbenside (103-17-3)

Guidance literature:

With potassium carbonate; In methanol; at 60 ℃; for 14h; Sealed tube; Inert atmosphere;

DOI:10.1002/chem.201901874

Reference yield: 64.0%

4-chloro(ethylbenzene) (622-98-0) + p-Chlorothiophenol (106-54-7) → chlorbenside (103-17-3)

Guidance literature:

With N-Bromosuccinimide; di-tert-butyl peroxide; Bathocuproine; nickel(II) acetate tetrahydrate; at 140 ℃; for 24h; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.tetlet.2021.152950

upstream raw materials:

sodium p-chlorothiophenolate

1-Chloro-3-chloromethyl-benzene

1-Chloro-4-(chloromethyl)benzene

p-Chlorothiophenol

Downstream raw materials:

4-chlorophenylbis(4-chlorobenzyl)sulfonium tetrafluoroborate

(4-chloro-benzyl)-(4-chloro-phenyl)-sulfoxide

(4-chloro-benzyl)-(4-chloro-phenyl)-sulfone

Refernces

• 1、 Liu, Shengping,Jin, Shengnan,Wang, Hao,Qi, Zaojuan,Hu, Xiaoxue,Qian, Bo,Huang, Hanmin. "Nickel-catalyzed oxidative dehydrogenative coupling of alkane with thiol for C(sp3)-S bond formation". supporting information. . Retrieved 2021/03/15.
• 2、 Murai, Toshiaki,Morikawa, Kenta,Maruyama, Toshifumi. "Sequential one-pot addition of excess aryl-grignard reagents and electrophiles to O-alkyl thioformates". . p. 13112 - 13119. Retrieved 2013/10/01.