O-p-Chlorophenyl chlorothioformate

Base Information

• Chemical Name: O-p-Chlorophenyl chlorothioformate
• CAS No.: 937-64-4
• Molecular Formula: C7H4 Cl2 O S
• Molecular Weight: 207.08
• Hs Code.: 2930909090
• European Community (EC) Number: 213-334-9
• DSSTox Substance ID: DTXSID00239550
• Nikkaji Number: J298.530F
• Wikidata: Q83121925
• Mol file: 937-64-4.mol

Synonyms:937-64-4;4-Chlorophenyl chlorothionoformate;O-p-Chlorophenyl chlorothioformate;4-Chlorophenyl Chlorothioformate;O-(4-chlorophenyl) chloromethanethioate;4-CHLOROPHENYLCHLOROTHIONOFORMATE;EINECS 213-334-9;O-(4-Chlorophenyl) chlorothioformate;Chlorothioformic Acid O-(4-Chlorophenyl) Ester;carbonochloridothioic acid, O-(4-chlorophenyl) ester;O-(4-chlorophenyl) chloridothiocarbonate;C7H4Cl2OS;chloro-thioformic acid (4-chloro-phenyl)ester;C7-H4-Cl2-O-S;SCHEMBL1462548;DTXSID00239550;4-chlorophenyl chloromethanethioate;MFCD00014465;AKOS000216110;O-4-chlorophenyl carbonochloridothioate;chloro-thioformic acid(4-chloro-phenyl)ester;FT-0618245;chlorothio-formicacid-O-(4-chlorophenyl)-ester;T71479;THIOFORMIC ACID,CHLORO,(4-CHLOROPHENYL) ESTER

Chemical Property of O-p-Chlorophenyl chlorothioformate

Chemical Property:

• Vapor Pressure: 0.0321mmHg at 25°C
• Refractive Index: n20/D 1.6(lit.)
• Boiling Point: 251.7°Cat760mmHg
• Flash Point: 106°C
• PSA: 41.32000
• Density: 1.46g/cm³
• LogP: 3.24250
• Sensitive.: Moisture Sensitive
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 205.9359913
• Heavy Atom Count: 11
• Complexity: 143

Purity/Quality:

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

4-CHLOROPHENYL CHLOROTHIONOFORMATE ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-37/38-41
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(=S)Cl)Cl

Technology Process of O-p-Chlorophenyl chlorothioformate

There total 3 articles about O-p-Chlorophenyl chlorothioformate 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%

thiophosgene (463-71-8) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-chlorophenyl chlorothionoformate (937-64-4)

Guidance literature:

With sodium hydroxide; In chloroform; water; at 0 - 5 ℃; for 1h;

DOI:10.1002/ejoc.200800231

Reference yield: 94.0%

thiophosgene (463-71-8) + 4-chloro-phenol (106-48-9,82344-39-6) → 4-chlorophenyl chlorothionoformate (937-64-4) + bis-(4-chlorophenyl) thionocarbonate (67803-58-1)

Guidance literature:

With sodium hydroxide; In dichloromethane; Ambient temperature;

DOI:10.1016/S0040-4020(01)90359-X

Reference yield:

→ 4-chlorophenyl chlorothionoformate (937-64-4)

Guidance literature:

upstream raw materials:

thiophosgene

4-chloro-phenol

Downstream raw materials:

N-[5-(4-Chloro-phenoxy)-[1,2,4]dithiazol-(3Z)-ylidene]-benzamide

Ethyl 2-(chlorophenoxythiocarbonyl)-4-methyl-5-oxo-2,5-dihydroisoxazole-3-carboxylate

Thiocarbonic acid O-[(2R,3S,5R)-2-(tert-butyl-dimethyl-silanyloxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-3-yl] ester O-(4-chloro-phenyl) ester

N-Benzyl-thiocarbamidsaeure-O-(4-chlor-phenylester)

Refernces

• 1、 Baroudi, Abdulkader,Alicea, Jeremiah,Flack, Phillip,Kirincich, Jason,Alabugin, Igor V.. "Radical OfC transposition: A metal-free process for conversion of phenols into benzoates and benzamides". experimental part. p. 1521 - 1537. Retrieved 2011/06/11.
• 2、 Oh, Hyuck Keun,Ha, Joo Suk,Sung, Dae Dong,Lee, Ikchoon. "Aminolysis of aryl chlorothionoformates with anilines in acetonitrile: Effects of amine nature and solvent on the mechanism". . p. 8219 - 8223. Retrieved 2007/10/03.