(4-fluorophenyl)methanesulfonyl Chloride

Base Information

• Chemical Name: (4-fluorophenyl)methanesulfonyl Chloride
• CAS No.: 103360-04-9
• Molecular Formula: C7H6ClFO2S
• Molecular Weight: 208.641
• Hs Code.: 29049090
• European Community (EC) Number: 623-742-2
• DSSTox Substance ID: DTXSID10374648
• Nikkaji Number: J3.200.325G
• Wikidata: Q82163248
• Mol file: 103360-04-9.mol

Synonyms:(4-fluorophenyl)methanesulfonyl Chloride;103360-04-9;4-fluorobenzylsulfonyl chloride;(4-Fluoro-phenyl)-methanesulfonyl chloride;MFCD01631930;(4-fluorophenyl)methanesulphonyl chloride;[(4-fluorophenyl)methyl]sulfonyl chloride;(4-fluorobenzyl)sulfonyl chloride;4-(fluoro-phenyl)-methane sulfonyl chloride;4-FLUORO-ALPHA-TOLUENESULFONYL CHLORIDE;SCHEMBL750073;DTXSID10374648;UUQGWVIRPCRTSA-UHFFFAOYSA-N;4-fluorophenylmethylsulfonyl chloride;AR2930;BBL104281;GEO-01427;STL558481;4-Fluorobenzylsulfonyl chloride, 97%;AKOS000130651;(4-fluorophenyl)methanesulfonylChloride;AB09405;AS-7053;[(4-fluorophenyl)methyl]sulfonylchloride;(4-fluoro-phenyl)methanesulfonyl chloride;(4-fluorophenyl)-methanesulfonyl chloride;4-Fluorobenzenemethanesulfonic acid chloride;FT-0678168;EN300-27343;A800720;A905919;J-000947;F1967-0683;(4-fluorophenyl)methanesulfonyl chloride;[(4-FLUOROPHENYL)METHYL]SULFONYL CHLORIDE

Chemical Property of (4-fluorophenyl)methanesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 0.0029mmHg at 25°C
• Melting Point: 61 °C
• Refractive Index: 1.546
• Boiling Point: 294.131 °C at 760 mmHg
• Flash Point: 131.686 °C
• PSA: 42.52000
• Density: 1.465 g/cm³
• LogP: 2.97510
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Sensitive.: Moisture Sensitive
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.9761065
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

99% ^*data from raw suppliers

(4-Fluorophenyl)methanesulfonylchloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: C,Xi
• Statements: 14-29-34-22
• Safety Statements: 8-22-26-30-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CS(=O)(=O)Cl)F
• Uses: (4-Fluorophenyl)methanesulfonyl chloride

Technology Process of (4-fluorophenyl)methanesulfonyl Chloride

There total 7 articles about (4-fluorophenyl)methanesulfonyl Chloride 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: 97.0%

2-(4-Fluoro-benzyl)-isothiourea; hydrochloride (122305-64-0) → 4-fluorobenzylsulfonyl chloride (103360-04-9)

Guidance literature:

With tert-butylhypochlorite; In water; acetonitrile; at 0 - 20 ℃;

DOI:10.1055/s-0034-1381024

Reference yield:

1-chloromethyl-4-fluorobenzene (352-11-4) → 4-fluorobenzylsulfonyl chloride (103360-04-9)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol / 0.5 h / Reflux

2: N-chloro-succinimide; hydrogenchloride / water; acetonitrile / 0.5 h / 10 - 20 °C / Green chemistry

With hydrogenchloride; N-chloro-succinimide; In ethanol; water; acetonitrile;

DOI:10.1055/s-0033-1338743

Reference yield:

S-(4-fluorobenzyl)isothiourea → 4-fluorobenzylsulfonyl chloride (103360-04-9)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 20 ℃;

upstream raw materials:

1-chloromethyl-4-fluorobenzene

2-(4-Fluoro-benzyl)-isothiourea; hydrochloride

4-Fluorobenzyl bromide

C₇H₇FO₃S

Downstream raw materials:

tert-butyl 2-[3-{[(4-fluorobenzyl)sulfonyl]amino}-6-methyl-2-oxo-1(2H)-pyridinyl]acetate

N-[6-cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1,2,3,4-tetrahydro-quinolin-3-yl]-C-(4-fluoro-phenyl)-methanesulfonamide

C₁₁H₁₂FNO₃S

(R)-2-(4-fluorophenylmethanesulfonyl)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydroisoquinoline

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