Pentafluorophenyl Chlorothionoformate - ≥95%(GC) , CAS No.135192-53-9

CAS: 135192-53-9 Cat. No.: P140400 Summenformel: C₇ClF₅OS Molekulargewicht: 262.58 EG-Nummer: 628-729-5 PubChem CID: 5214725

QUALITÄT & REINHEIT ≥95%(GC)

Synonyms

Pentafluorophenyl chlorothioformate | Pentafluorophenyl Thionochloroformate | Chlorothioformic Acid O-Pentafluorophenyl Ester | J-006664 | BS-44106 | 2,3,4,5,6-PENTAFLUOROPHENYL CHLOROMETHANETHIOATE | O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate |

Storage

Argon charged,Room temperature

Shipped In

Normal

Übersicht

Pentafluorophenyl chlorothionoformate may be used: . as derivatizing agent during radical-chain deoxygenations of primary alcohols . as a reagent during the conversion of ribonucleoside to arabinonucleosides . as reagent during the conversion of 6,8-diethyl-7-hydroxy-5-propyl-hexahydro-indolizin-3-one to O-6,8-diethyl-octahydro-3-oxo-5-propylindolizin-7-yl benzothioate

Spezifikationen

Synonyme

Pentafluorophenyl chlorothioformate | Pentafluorophenyl Thionochloroformate | Chlorothioformic Acid O-Pentafluorophenyl Ester | J-006664 | BS-44106 | 2,3,4,5,6-PENTAFLUOROPHENYL CHLOROMETHANETHIOATE | O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate |

Spezifikationen & Reinheit

≥95%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥95%(GC)

Namen und Kennungen

Pubchem Sid

528772742

Kanonisches Lächeln

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=S)Cl

IUPAC Name

O-(2,3,4,5,6-pentafluorophenyl) chloromethanethioate

InChIKey

DKFQHZNKNWNZCO-UHFFFAOYSA-N

INCHI

1S/C7ClF5OS/c8-7(15)14-6-4(12)2(10)1(9)3(11)5(6)13

Isomere SMILES

C1(=C(C(=C(C(=C1F)F)F)F)F)OC(=S)Cl

WGK Deutschland

3

PubChem CID

5214725

UN-Nummer

3265

Molekulargewicht

262.58

Reaxy-Rn

4479610

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxy compounds

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxy compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxy compounds
• Alternative Parents: Fluorobenzenes Aryl fluorides Organosulfur compounds Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organofluoride - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxy compounds. These are aromatic compounds contaning a phenoxy group.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Brechungsindex: 1.4815
• Flammpunkt (°F): 188.6 °F
• Flammpunkt (°C): 87°C
• Siedepunkt (°C): 98-102 °C
• Molekulargewicht: 262.580 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 261.928 Da
• Monoisotopic Mass: 261.928 Da
• Topological Polar Surface Area: 41.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 240.000
• 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