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

CAS: 135192-53-9 Cat. No.: P140400 Formula: C₇ClF₅OS Peso molecolare: 262.58 Numero EC: 628-729-5 PubChem CID: 5214725

QUALITÀ & PUREZZA ≥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

Panoramica

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

Specifiche

Sinonimi

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 |

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

528772742

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

PubChem CID

5214725

Numero UN

3265

Peso molecolare

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
• Descrizione: 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

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive
• Indice di rifrazione: 1.4815
• Punto di infiammabilità (°F): 188.6 °F
• Punto di infiammabilità (°C): 87°C
• Punto di ebollizione (°C): 98-102 °C
• Peso molecolare: 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