4-(Pentafluorothio)benzonitrile

Structure

Product Name: 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
Formula Weight: 229.17
MOL File: 401892-85-1.mol

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4-(Pentafluorothio)benzonitrile Property

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

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Safety

Hazard Codes: T
Hazard Note: Toxic
HazardClass: 6.1
HS Code: 2930909899

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Danger

Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Alfa Aesar

Product number: H35537
Product name: 4-(Pentafluorothio)benzonitrile, 97%
Packaging: 1g
Price: $84
Updated: 2021/12/16

Alfa Aesar

Product number: H35537
Product name: 4-(Pentafluorothio)benzonitrile, 97%
Packaging: 5g
Price: $279
Updated: 2021/12/16

TRC

Product number: P227385
Product name: 4-(Pentafluorothio)benzonitrile
Packaging: 50mg
Price: $45
Updated: 2021/12/16

TRC

Product number: P227385
Product name: 4-(Pentafluorothio)benzonitrile
Packaging: 100mg
Price: $60
Updated: 2021/12/16

SynQuest Laboratories

Product number: 7671-3-X1
Product name: 4-(Pentafluorothio)benzonitrile
Packaging: 1g
Price: $384
Updated: 2021/12/16

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4-(Pentafluorothio)benzonitrile Chemical Properties,Usage,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

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4-(Pentafluorothio)benzonitrile Suppliers

China 19 India 1 Slovakia 1 United Kingdom 4 United States 5 Global 30

Shanghai Fengji Pharmaceutical Technology Co., Ltd

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J & K SCIENTIFIC LTD.

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Alfa Chemistry

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401892-85-1, 4-(Pentafluorothio)benzonitrileRelated Search:

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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