4-(Pentafluorotio)benzaldeído - ≥95% , CAS No.401892-84-0

CAS: 401892-84-0 Cat. No.: P184328 Fórmula: C₇H₅F₅OS Peso molecular: 232.17 Número CE: 692-885-0

GRADE & PURITY ≥95%

Synonyms

SB85354 | 4-(pentafluoro-lambda~6~-sulfanyl)benzaldehyde | DTXSID40381320 | 4-[pentakis(fluoranyl)-$l^{6}-sulfanyl]benzaldehyde | BRA89284 | 4-(pentafluoro-lambda6-sulphanyl)-benzaldehyde | 4-(Pentafluorosulfanyl)benzaldehyde | 4-(pentafluoro--sulfanyl)be

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

SB85354 | 4-(pentafluoro-lambda~6~-sulfanyl)benzaldehyde | DTXSID40381320 | 4-[pentakis(fluoranyl)-$l^{6}-sulfanyl]benzaldehyde | BRA89284 | 4-(pentafluoro-lambda6-sulphanyl)-benzaldehyde | 4-(Pentafluorosulfanyl)benzaldehyde | 4-(pentafluoro--sulfanyl)be

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

C1=CC(=CC=C1C=O)S(F)(F)(F)(F)F

IUPAC Name

4-(pentafluoro-λ6-sulfanyl)benzaldehyde

InChIKey

OTOYBKNIUCEPMV-UHFFFAOYSA-N

INCHI

1S/C7H5F5OS/c8-14(9,10,11,12)7-3-1-6(5-13)2-4-7/h1-5H

SMILES isoméricas

C1=CC(=CC=C1C=O)S(F)(F)(F)(F)F

Peso molecular

232.17

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Benzaldehydes Organosulfur compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoyl - Benzaldehyde - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aldehyde - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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: air sensitive
• Peso molecular: 232.170 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 231.998 Da
• Monoisotopic Mass: 231.998 Da
• Topological Polar Surface Area: 18.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 236.000
• 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