Structure
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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
Matrix Scientific
Product number
084518
Product name
4-(Pentafluorosulfanyl)benzonitrile
Purity
97%
Packaging
1g
Price
$190
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

Shanghai Fengji Pharmaceutical Technology Co., Ltd
Tel
15555063509
Email
153666767@qq.com
Country
China
ProdList
2751
Advantage
58
J & K SCIENTIFIC LTD.
Tel
010-82848833 400-666-7788
Fax
86-10-82849933
Email
jkinfo@jkchemical.com
Country
China
ProdList
96815
Advantage
76
Alfa Aesar
Tel
400-6106006
Fax
021-67582001/03/05
Email
saleschina@alfa-asia.com
Country
China
ProdList
30123
Advantage
84
Shandong Xiya Chemical Co., Ltd
Tel
4009903999 13355009207
Fax
0539-6365991
Email
3007715519@qq.com
Country
China
ProdList
18738
Advantage
57
Shanghai YuanYe Biotechnology Co., Ltd.
Tel
021-61312847; 18021002903
Fax
QQ:3008007432
Email
3008007409@qq.com
Country
China
ProdList
27313
Advantage
60
Changzhou Hopschain Chemical Co.,Ltd.
Tel
0519-85528066 13775048983
Fax
0519-85528066
Email
sales@hopschem.com
Country
China
ProdList
31553
Advantage
55
Amadis Chemical Company Limited
Tel
571-89925085
Fax
0086-571-89925065
Email
sales@amadischem.com
Country
China
ProdList
131957
Advantage
58
Shandong Ono Chemical Co., Ltd.
Tel
0539-6362799 20)
Fax
0539-6362799(To 20)
Country
China
ProdList
10007
Advantage
58
Aikon International Limited
Tel
025-66113011 18112977050
Fax
02557626880
Email
sales01@aikonchem.com
Country
China
ProdList
16027
Advantage
58
Alfa Chemistry
Tel
Fax
1-516-927-0118
Email
Info@alfa-chemistry.com
Country
United States
ProdList
24072
Advantage
58

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


  • 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