(3-fluorophenyl)methanesulfonyl Chloride

Base Information

• Chemical Name: (3-fluorophenyl)methanesulfonyl Chloride
• CAS No.: 24974-72-9
• Molecular Formula: C7H6ClFO2S
• Molecular Weight: 208.641
• Hs Code.: 2904990090
• European Community (EC) Number: 673-807-4
• DSSTox Substance ID: DTXSID50374647
• Wikidata: Q82163247
• Mol file: 24974-72-9.mol

Synonyms:(3-fluorophenyl)methanesulfonyl Chloride;24974-72-9;(3-Fluoro-phenyl)-methanesulfonyl chloride;(3-fluorophenyl)methanesulphonyl chloride;MFCD04117456;benzenemethanesulfonyl chloride, 3-fluoro-;3-fluorobenzylsulphonyl chloride;3-(fluorophenyl)methanesulfonyl chloride;SCHEMBL2909170;DTXSID50374647;GEO-01426;AKOS000128692;(3-fluorophenyl)methanesulfonylChloride;Benzenemethanesulfonylchloride,3-fluoro-;BP-10540;PS-10894;BB 0259354;FT-0678034;EN300-65699;A51059;A817586;(3-fluoro-phenyl)-methanesulfonyl chloride, AldrichCPR;F1967-0684

Chemical Property of (3-fluorophenyl)methanesulfonyl Chloride

Chemical Property:

• Vapor Pressure: 0.0047mmHg at 25°C
• Melting Point: 39 °C
• Refractive Index: 1.546
• Boiling Point: 285.889 °C at 760 mmHg
• Flash Point: 126.702 °C
• PSA: 42.52000
• Density: 1.465 g/cm³
• LogP: 2.97510
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 207.9761065
• Heavy Atom Count: 12
• Complexity: 234

Purity/Quality:

97% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): C; Xi
• Hazard Codes: C,Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)F)CS(=O)(=O)Cl
• Uses: (3-Fluorophenyl)methanesulfonyl chloride

Technology Process of (3-fluorophenyl)methanesulfonyl Chloride

There total 4 articles about (3-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:

2-(3-Fluoro-benzyl)-isothiourea; hydrochloride → (3-fluorophenyl)methanesulphonyl chloride (24974-72-9)

Guidance literature:

With hydrogenchloride; N-chloro-succinimide; In acetonitrile; at 10 - 20 ℃; for 0.333333h;

DOI:10.1021/acs.jmedchem.8b01971

Reference yield:

m-fluorobenzyl chloride (456-42-8) → (3-fluorophenyl)methanesulphonyl chloride (24974-72-9)

Guidance literature:

m-fluorobenzyl chloride; With ethanol; thiourea; at 96 ℃; for 3h; Inert atmosphere; Sealed tube;

With hydrogenchloride; In water; acetonitrile; at 0 ℃; for 0.25h; Inert atmosphere; Sealed tube;

With N-chloro-succinimide; In water; acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere; Sealed tube;

DOI:10.1002/anie.201503112

Reference yield:

C8H9FN2S*H(1+) → (3-fluorophenyl)methanesulphonyl chloride (24974-72-9)

Guidance literature:

C₈H₉FN₂S*H⁽¹⁺⁾; With hydrogenchloride; In acetonitrile; at 0 ℃; for 0.25h;

With N-chloro-succinimide; In acetonitrile; at 20 ℃; for 0.5h;

DOI:10.1021/jacs.9b10646

upstream raw materials:

m-fluorobenzyl chloride

Downstream raw materials:

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

(S)-2-(3-fluoro-phenylmethanesulfonyl)-1-(1H-indol-3-yl)-1,2,3,4-tetrahydro-isoquinoline

C₂₆H₂₇F₃N₄O₄S

1-(3-fluorophenyl)methanesulfonamide

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