4-Fluorophenyl chlorothionoformate

Base Information

• Chemical Name: 4-Fluorophenyl chlorothionoformate
• CAS No.: 42908-73-6
• Molecular Formula: C7H4 Cl F O S
• Molecular Weight: 190.626
• Hs Code.: 2930909090
• European Community (EC) Number: 621-874-5
• DSSTox Substance ID: DTXSID40407756
• Mol file: 42908-73-6.mol

Synonyms:4-Fluorophenyl chlorothionoformate;42908-73-6;O-(4-fluorophenyl) chloromethanethioate;O-(4-fluorophenyl) carbonochloridothioate;O-4-fluorophenyl carbonochloridothioate;Chlorothioformic Acid O-(4-Fluorophenyl) Ester;4-fluorophenyl chlorothioformate;C7H4ClFOS;SCHEMBL742569;DTXSID40407756;HZBXSUFBKXPOAF-UHFFFAOYSA-N;MFCD00134402;O-(4-Fluorophenyl) Chlorothioformate;AKOS000216109;O-(4-fluorophenyl)carbonochloridothioate;BS-23250;F0365;FT-0639813;T72468;Carbonochloridothioic acid,o-(4-fluorophenyl)ester

Chemical Property of 4-Fluorophenyl chlorothionoformate

Chemical Property:

• Vapor Pressure: 0.14mmHg at 25°C
• Refractive Index: n20/D 1.558(lit.)
• Boiling Point: 94-95 °C10 mm Hg(lit.)
• Flash Point: 184 °F
• PSA: 41.32000
• Density: 1.363 g/mL at 25 °C(lit.)
• LogP: 2.72820
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 189.9655418
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

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

4-Fluorophenyl Chlorothionoformate ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 22-34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Fluorophenyl chlorothionoformate

There total 2 articles about 4-Fluorophenyl chlorothionoformate 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: 5.2%

carbon disulfide (75-15-0,12122-00-8) + 4-Fluorophenol (371-41-5) → 4-fluorophenyl chlorothionoformate (42908-73-6) + bis(4-fluorophenyl)thionocarbonate

Guidance literature:

With sodium hydroxide; In chloroform; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(01)86502-9

Reference yield:

4-Fluorophenol (371-41-5) + thiophosgene (463-71-8) → 4-fluorophenyl chlorothionoformate (42908-73-6)

Guidance literature:

With sodium hydroxide; In methanol; chloroform; water; at 0 ℃; for 1.5h; Inert atmosphere;

DOI:10.1021/ja311606u

Reference yield: 98.0%

ent-13-acetoxy-2β,3α-dihydroxy-20-norgibberella-1(10),16-diene-7,19-dioic acid 19,2-lactone 7-methyl ester (35507-07-4) + 4-fluorophenyl chlorothionoformate (42908-73-6) → C29H29FO8S (179069-60-4)

Guidance literature:

With dmap; triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1016/0040-4039(96)00810-6

upstream raw materials:

carbon disulfide

4-Fluorophenol

thiophosgene

Downstream raw materials:

octadecyl (4-fluorophenyl)thionocarbonate

Thiocarbonic acid O-(2-benzenesulfonyl-1-hexyl-nonyl) ester O-(4-fluoro-phenyl) ester

β-phenylethyl (4-fluorophenyl)thionocarbonate

Thiocarbonic acid O-cyclododecyl ester O-(4-fluoro-phenyl) ester