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

CAS: 455-32-3 Cat. No.: B152051 Molecular Weight: 124.11 Beilstein Registry Number: 9181 EC Number: 207-244-9

GRADE & PURITY ≥98%

Synonyms

Benzoic acid fluoride | (Fluoroformyl)benzene

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Product Application：

Benzoyl fluoride is used as a mild fluorinating agent.

Specifications

Synonyms

Benzoic acid fluoride | (Fluoroformyl)benzene

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754237
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754237
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)F
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Hydrolyses in water.
• Sensitivity: Moisture Sensitive
• Refractive Index: 1.5
• Flash Point(°F): 118°F
• Flash Point(°C): 49°C(lit.)
• Boil Point(°C): 160 °C
• Melt Point(°C): -28 °C
• Molecular Weight: 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

References

1. Jianxun Wang, Hongxin Tao, Shuo Li, Ruoxi Wang, Jingyu Qian, Xiaoyu Zhang.  (2026)  In Situ Generation of Hydrogen Fluoride for F-Doping of Perovskite Quantum Dots.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.6c00080]