Benzoyl Fluoride - ≥98% , CAS No.455-32-3

CAS: 455-32-3 Cat. No.: B152051 Formula: C₇H₅FO Peso molecolare: 124.11 Beilstein Registry Number: 9181 Numero EC: 207-244-9

GRADE & PURITY ≥98%

Synonyms

Benzoic acid fluoride | (Fluoroformyl)benzene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Panoramica

Product Application：

Benzoyl fluoride is used as a mild fluorinating agent.

Specifications

Sinonimi

Benzoic acid fluoride | (Fluoroformyl)benzene

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504754237

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754237

Sorrisi canonici

C1=CC=C(C=C1)C(=O)F

IUPAC Name

benzoyl fluoride

InChIKey

HPMLGNIUXVXALD-UHFFFAOYSA-N

INCHI

1S/C7H5FO/c8-7(9)6-4-2-1-3-5-6/h1-5H

Isomeri SMILES

C1=CC=C(C=C1)C(=O)F

Peso molecolare

124.11

Beilstein

9181

Reaxy-Rn

1904977

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904977&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids and derivatives
• Alternative Parents: Benzoyl derivatives Acyl fluorides Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid or derivatives - Benzoyl - Acyl halide - Acyl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent 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

Proprietà chimiche e fisiche

• Solubilità: Hydrolyses in water.
• Sensibilità: Moisture Sensitive
• Indice di rifrazione: 1.5
• Punto di infiammabilità (°F): 118°F
• Punto di infiammabilità (°C): 49°C(lit.)
• Punto di ebollizione (°C): 160 °C
• Punto di fusione (°C): -28 °C
• Peso molecolare: 124.110 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.032 Da
• Monoisotopic Mass: 124.032 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 105.000
• 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