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

CAS: 135192-53-9 Cat. No.: P140400 Fórmula: C₇ClF₅OS Peso molecular: 262.58 Número CE: 628-729-5 PubChem CID: 5214725

GRAU & PUREZA ≥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

Visão geral

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

Especificações

Sinónimos

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 |

Especificações e pureza

≥95%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥95%(GC)

Nomes e identificadores

Pubchem Sid

528772742

Sorrisos canónicos

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

SMILES isoméricas

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

WGK Alemanha

3

PubChem CID

5214725

Número UN

3265

Peso molecular

262.58

Reaxy-Rn

4479610

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Moisture sensitive
• Índice de refração: 1.4815
• Ponto de inflamação (°F): 188.6 °F
• Ponto de inflamação (°C): 87°C
• Ponto de ebulição (°C): 98-102 °C
• Peso molecular: 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