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

CAS: 135192-53-9 Cat. No.: P140400 Formule: C₇ClF₅OS Poids moléculaire: 262.58 Numéro CE: 628-729-5 PubChem CID: 5214725

QUALITÉ & PURETÉ ≥95%(GC)

Synonyms

Chlorothioformate de pentafluorophényle | Thionochloroformate de pentafluorophényle | Ester d'acide chlorothioformique O-Pentafluorophényle | J-006664 | BS-44106 | 2,3,4,5,6-PENTAFLUOROPHENYL CHLOROMETHANETHIOATE | O-(2,3,4,5,6-pentafluorophényle) chlorom

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

Le chlorothionoformate de pentafluorophényle peut être utilisé : . comme agent de dérivation lors de la désoxygénation des chaînes radicalaires des alcools primaires . comme réactif lors de la conversion de ribonucléosides en arabinonucléosides . comme réactif lors de la conversion de la 6,8-diéthyl-7-hydroxy-5-propyl-hexahydro-indolizin-3-one en O-6,8-diéthyl-octahydro-3-oxo-5-propylindolizin-7-yl benzothioate

Spécifications

Synonymes

Chlorothioformate de pentafluorophényle | Thionochloroformate de pentafluorophényle | Ester d'acide chlorothioformique O-Pentafluorophényle | J-006664 | BS-44106 | 2,3,4,5,6-PENTAFLUOROPHENYL CHLOROMETHANETHIOATE | O-(2,3,4,5,6-pentafluorophényle) chlorom

Spécifications et pureté

≥95%(GC)

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥95%(GC)

Noms et identifiants

Pubchem Sid

528772742

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

PubChem CID

5214725

Numéro ONU

3265

Poids moléculaire

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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Indice de réfraction: 1.4815
• Point d'éclair (°F): 188.6 °F
• Point d'éclair (°C): 87°C
• Point d'ébullition (°C): 98-102 °C
• Poids moléculaire: 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