Chlorodimethyl(pentafluorophenyl)silane - ≥95% , CAS No.20082-71-7

CAS: 20082-71-7 Cat. No.: C337174 Formula: C₈H₆ClF₅Si Molecular Weight: 260.67 EC Number: 243-506-9

GRADE & PURITY ≥95%

Synonyms

FT-0623651 | Pentafluorophenyldimethylsilylchloride | Pentafluorophenyl dimethylsilyl chloride | SCHEMBL523088 | P0854 | Pentafluorophenyldimethylchlorosilane | Pentafluorophenyldimethylsilylchlorid | Chlorodimethyl(pentafluorophenyl)silane | (Pentafluoro

Storage

Room temperature,Argon charged

Shipped In

Normal

Overview

Chlorodimethyl(pentafluorophenyl)silane is an extremely sensitive derivatizing agent for the analysis of sterols and lower aliphatic alcohols by electron capture gas chromatography(1),(2),(3).

Application

It is used as a GC reagent for detection of sterols at low concentration as flophemesyl derivatives, readily detected by electron capture. Chlorodimethyl(pentafluorophenyl)silane is an extremely sensitive derivatizing agent for the analysis of sterols and lower aliphatic alcohols by electron capture gas chromatography.

Specifications

Synonyms

FT-0623651 | Pentafluorophenyldimethylsilylchloride | Pentafluorophenyl dimethylsilyl chloride | SCHEMBL523088 | P0854 | Pentafluorophenyldimethylchlorosilane | Pentafluorophenyldimethylsilylchlorid | Chlorodimethyl(pentafluorophenyl)silane | (Pentafluoro

Specifications & Purity

≥95%

Storage

Room temperature,Argon charged

Shipped In

Normal

Purity

≥95%

Names and Identifiers

Pubchem Sid

504755938

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755938

Canonical Smiles

C[Si](C)(C1=C(C(=C(C(=C1F)F)F)F)F)Cl

IUPAC Name

chloro-dimethyl-(2,3,4,5,6-pentafluorophenyl)silane

InChIKey

PQRFRTCWNCVQHI-UHFFFAOYSA-N

INCHI

1S/C8H6ClF5Si/c1-15(2,9)8-6(13)4(11)3(10)5(12)7(8)14/h1-2H3

Isomeric SMILES

C[Si](C)(C1=C(C(=C(C(=C1F)F)F)F)F)Cl

Molecular Weight

260.67

Reaxy-Rn

2858407

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2858407&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Alkylarylsilanes Aryl fluorides Silyl monohalides Organochlorosilanes Organic metalloid salts Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkylarylsilane - Fluorobenzene - Aryl halide - Aryl fluoride - Silyl monohalide - Organoheterosilane - Organochlorosilane - Organic metalloid salt - Hydrocarbon derivative - Organic salt - Organosilicon compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Reacts with water
• Sensitivity: Moisture sensitive.
• x_refractive_index: 1.45
• x_flash_point_drop_centigrade: 75 °C
• x_boil_point_char: 88-90° C at 10 mmHg
• Molecular Weight: 260.660 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 259.985 Da
• Monoisotopic Mass: 259.985 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3