4-(Pentafluorosulfanyl)benzoyl chloride

Base Information

• Chemical Name: 4-(Pentafluorosulfanyl)benzoyl chloride
• CAS No.: 197384-98-8
• Molecular Formula: C7H4 Cl F5 O S
• Molecular Weight: 266.619
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID20381328
• Wikidata: Q82172092
• Mol file: 197384-98-8.mol

Synonyms:197384-98-8;4-(Pentafluorosulfanyl)benzoyl chloride;4-(Pentafluorothio)benzoyl chloride;4-(PENTAFLUOROSULFANYL)BENZOYLCHLORIDE;4-(Pentafluoro-lambda6-sulfanyl)benzoyl chloride;4-(Pentafluorosulphanyl)benzoyl chloride;SCHEMBL8045036;DTXSID20381328;NNFDYUZNKYWPGP-UHFFFAOYSA-N;Sulfur, [4-(chlorocarbonyl)phenyl]pentafluoro-, (OC-6-21)-;4-pentafluorosulfanylbenzoic chloride;MFCD03788523;4-(Pentafluorosulfur)benzoyl chloride;4-pentafluorosulphanylbenzoyl chloride;AKOS015956849;PS-10721;4-(pentafluoro-|E?-sulfanyl)benzoyl chloride;4-(PENTAFLUORO-??-SULFANYL)BENZOYL CHLORIDE;J-012756

Chemical Property of 4-(Pentafluorosulfanyl)benzoyl chloride

Chemical Property:

• PSA: 42.37000
• LogP: 4.72300
• Sensitive.: Moisture Sensitive
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 265.9591544
• Heavy Atom Count: 15
• Complexity: 278

Purity/Quality:

99% ^*data from raw suppliers

4-(Pentafluorothio)benzoyl chloride ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)Cl)S(F)(F)(F)(F)F

Technology Process of 4-(Pentafluorosulfanyl)benzoyl chloride

There total 5 articles about 4-(Pentafluorosulfanyl)benzoyl 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: 59.0%

C7H4Cl3F5S → 4-(pentafluoro-λ6-sulfanyl)benzoyl chloride (197384-98-8)

Guidance literature:

With iron(III) chloride; Hexamethyldisiloxane; at 100 ℃; for 48h; Concentration; Reagent/catalyst; Temperature; Time; Inert atmosphere;

Reference yield:

4-(pentafluoro-λ6-sulphanyl)benzoic acid (832-32-6) → 4-(pentafluoro-λ6-sulfanyl)benzoyl chloride (197384-98-8)

Guidance literature:

With thionyl chloride; at 65 ℃; for 4h;

Reference yield:

pentafluoro(4-vinylphenyl)-λ6-sulfane (1046446-99-4) → 4-(pentafluoro-λ6-sulfanyl)benzoyl chloride (197384-98-8)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium periodate / ruthenium trichloride / tetrachloromethane; water; acetonitrile / 1 h / 20 °C

1.2: pH 1

2.1: thionyl chloride / 4 h / 65 °C

With sodium periodate; thionyl chloride; ruthenium trichloride; In tetrachloromethane; water; acetonitrile;

upstream raw materials:

4-(pentafluoro-λ⁶-sulphanyl)benzoic acid

pentafluoro(4-vinylphenyl)-λ⁶-sulfane

4-(pentafluorosulfanyl)aniline

pentafluoro(4-iodophenyl)-λ⁶-sulfane

Downstream raw materials:

N-(1-cyano-2-hydroxy-1-methylethyl)-4-(pentafluorothio)benzamide

N-{1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl}-4-(pentafluorothio)benzamide

N-[1-cyano-2-(3-cyanophenoxy)-1-methylethyl]-4-(pentafluorothio)benzamide

N-[1-cyano-2-(2,4-dichlorophenoxy)-1-methylethyl]-4-(pentafluorothio)benzamide