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4-(Pentafluorothio)benzonitrile

CAS No.
401892-85-1
Chemical Name:
4-(Pentafluorothio)benzonitrile
Synonyms
4-(PENTAFLUOROTHIO)BENZONITRILE;4-Pentafluorosulfur benzonitrile;4-Cyanophenylsulphurpentafluoride;4-CYANOPHENYLSULFUR PENTAFLUORIDE;4-(PENTAFLUOROSULFANYL)BENZONITRILE;4-(Pentafluoro-λ6-sulfanyl)benzonitrile;4-(pentafluoro-$l^{6}-sulfanyl)benzonitrile;4-(pentafluoro-lambda6-sulfanyl)benzonitrile;Sulfur, (4-cyanophenyl)pentafluoro-, (OC-6-21)-;4-Cyanophenylsulphur pentafluoride, 4-(Pentafluorosulphanyl)benzonitrile
CBNumber:
CB4187459
Molecular Formula:
C7H4F5NS
Molecular Weight:
229.17
MDL Number:
MFCD03788521
MOL File:
401892-85-1.mol
MSDS File:
SDS
Last updated:2024-07-30 14:17:05

4-(Pentafluorothio)benzonitrile Properties

form solid
color Beige
InChI InChI=1S/C7H4F5NS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-4H
InChIKey SGACKKUEROEDNX-UHFFFAOYSA-N
SMILES C1(C=CC(C#N)=CC=1)S(F)(F)(F)(F)F

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS06
Signal word  Danger
Hazard statements  H302-H312-H315-H319-H331-H335
Precautionary statements  P261-P280-P304+P340-P305+P351+P338-P405-P501a
Hazard Codes  T
Hazard Note  Toxic
HazardClass  6.1
HS Code  2930909899
NFPA 704
1
2 0

4-(Pentafluorothio)benzonitrile price More Price(11)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Alfa Aesar H35537 4-(Pentafluorothio)benzonitrile, 97% 401892-85-1 1g $84 2021-12-16 Buy
Alfa Aesar H35537 4-(Pentafluorothio)benzonitrile, 97% 401892-85-1 5g $279 2021-12-16 Buy
TRC P227385 4-(Pentafluorothio)benzonitrile 401892-85-1 50mg $45 2021-12-16 Buy
TRC P227385 4-(Pentafluorothio)benzonitrile 401892-85-1 100mg $60 2021-12-16 Buy
SynQuest Laboratories 7671-3-X1 4-(Pentafluorothio)benzonitrile 401892-85-1 1g $384 2021-12-16 Buy
Product number Packaging Price Buy
H35537 1g $84 Buy
H35537 5g $279 Buy
P227385 50mg $45 Buy
P227385 100mg $60 Buy
7671-3-X1 1g $384 Buy

4-(Pentafluorothio)benzonitrile Chemical Properties,Uses,Production

Structure

Organic compounds containing the tri­fluoro­methyl (CF3) or penta­fluoro­thio (or penta­fluoro-λ6-sulfanyl, SF5) groups play an important role in organofluorine chemistry because of their special properties, including low surface energy, hydro­phobicity, high chemical resistance, high thermal stability and high electronegativity. SF5, coined as the ‘super-tri­fluoro­meth­yl’ group, is often preferred to CF3 as it is more electronegative, lipophilic and chemically stable and possesses a higher steric effect. The current inter­est in the drug discovery of fluorinated substituents is based on the possibility of improving both the metabolic stability and bioavailability of receptor binders upon the incorporation of substituents with one or more fluorine atoms. Several blockbuster drugs include such a group, demonstrating the prominent role of the tri­fluoro­methyl group in the area of drug discovery. New mol­ecules incorporating the SF5 group are thus potential alternatives to already existing biologically active mol­ecules containing the CF3 substitution[1].

References

[1] Jean C. González Espiet, Dalice M. Pi?ero Cruz, Juan A. Cintrón Cruz . “Structural characterization and Hirshfeld surface analysis of 2-iodo-4-(penta-fluoro-λ6-sulfan-yl)benzo-nitrile.” Acta Crystallographica Section E: Crystallographic Communications 76 (2020): Pages 231-234.

4-(Pentafluorothio)benzonitrile Preparation Products And Raw materials

Raw materials

Preparation Products

4-(Pentafluorothio)benzonitrile Suppliers

Global( 30)Suppliers
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Career Henan Chemica Co
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Compound Net Biotechnology Inc.
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J & K SCIENTIFIC LTD. 010-82848833 400-666-7788 jkinfo@jkchemical.com China 96815 76
Alfa Aesar 400-6106006 saleschina@alfa-asia.com China 30132 84
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Shanghai YuanYe Biotechnology Co., Ltd. 021-61312847; 18021002903 3008007409@qq.com China 27314 60
4-CYANOPHENYLSULFUR PENTAFLUORIDE 4-(PENTAFLUOROSULFANYL)BENZONITRILE 4-(PENTAFLUOROTHIO)BENZONITRILE 4-Pentafluorosulfur benzonitrile 4-Cyanophenylsulphurpentafluoride 4-Cyanophenylsulphur pentafluoride, 4-(Pentafluorosulphanyl)benzonitrile 4-(Pentafluoro-λ6-sulfanyl)benzonitrile 4-(pentafluoro-$l^{6}-sulfanyl)benzonitrile Sulfur, (4-cyanophenyl)pentafluoro-, (OC-6-21)- 4-(pentafluoro-lambda6-sulfanyl)benzonitrile 401892-85-1 C7H4F5NS Phenyls & Phenyl-Het Phenyls & Phenyl-Het