Pentafluorophenyl isothiocyanate - ≥97%(GC) , CAS No.35923-79-6

CAS: 35923-79-6 Cat. No.: P169887 Formule: C₇F₅NS Poids moléculaire: 225.14 Numéro CE: 252-791-9 PubChem CID: 123452

GRADE & PURITY ≥97%(GC)

Synonyms

AKOS005259826 | SY329137 | BBL102348 | 2,3,4,5,6-Pentafluorophenyl isothiocyanate | STL556148 | MFCD00041042 | 2,3,4,5,6-pentafluorophenylisothiocyanate | Pentafluorophenylisothiocyanate | Pentafluorophenyl-isothiocyanate | 1,2,3,4,5-Pentafluoro-6-isothio

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

AKOS005259826 | SY329137 | BBL102348 | 2,3,4,5,6-Pentafluorophenyl isothiocyanate | STL556148 | MFCD00041042 | 2,3,4,5,6-pentafluorophenylisothiocyanate | Pentafluorophenylisothiocyanate | Pentafluorophenyl-isothiocyanate | 1,2,3,4,5-Pentafluoro-6-isothio

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

528769805

Sourires canoniques

C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S

IUPAC Name

1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene

InChIKey

NGNKMRBGZPDABE-UHFFFAOYSA-N

INCHI

1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10

Isomères SMILES

C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S

PubChem CID

123452

Poids moléculaire

225.14

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen 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

Propriétés chimiques et physiques

• Sensibilité: Moisture sensitive
• Point d'ébullition (°C): 38-39°C/0.2mmHg
• Poids moléculaire: 225.140 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 224.967 Da
• Monoisotopic Mass: 224.967 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 14
• 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