Benzoyl fluoride

Base Information

• Chemical Name: Benzoyl fluoride
• CAS No.: 455-32-3
• Molecular Formula: C7H5FO
• Molecular Weight: 124.115
• Hs Code.: 29163990
• European Community (EC) Number: 207-244-9
• UNII: LOR25I34HD
• DSSTox Substance ID: DTXSID5060019
• Nikkaji Number: J79.623I
• Wikidata: Q4493246
• Mol file: 455-32-3.mol

Synonyms:Benzoyl fluoride;455-32-3;Benzoylfluoride;UNII-LOR25I34HD;LOR25I34HD;EINECS 207-244-9;Benzoyl Fluoride 99%;benzoylfluorid;SCHEMBL295618;DTXSID5060019;HPMLGNIUXVXALD-UHFFFAOYSA-;MFCD00000364;STL453668;AKOS005257704;MS-20620;B1115;FT-0622757;D88754;EN300-7447932;A826838;Q4493246

Chemical Property of Benzoyl fluoride

Chemical Property:

• Appearance/Colour: clear yellow to red-brown liquid
• Vapor Pressure: 3.17mmHg at 25°C
• Melting Point: -28 °C(lit.)
• Refractive Index: n20/D 1.496(lit.)
• Boiling Point: 154.5 °C at 760 mmHg
• Flash Point: 54.3 °C
• PSA: 17.07000
• Density: 1.129 g/cm³
• LogP: 1.79630
• Sensitive.: Lachrymatory
• Water Solubility.: Hydrolyses in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 124.032442941
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

98% ^*data from raw suppliers

Benzoyl fluoride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,T,F
• Hazard Codes: C,T,F
• Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)F
• Uses: Manufacturing of acyl and other fluorides. Benzoyl fluoride is used as a mild fluorinating agent.

Technology Process of Benzoyl fluoride

There total 115 articles about Benzoyl fluoride which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

benzoyl chloride (98-88-4) → benzoyl fluoride (455-32-3)

Guidance literature:

With 1,8-bis(dimethylamino)naphthalene (hydrogen fluoride); In acetonitrile; Ambient temperature;

DOI:10.1039/c39930000855

Reference yield: 100.0%

benzoic acid (65-85-0,8013-63-6) → benzoyl fluoride (455-32-3)

Guidance literature:

With 4-tert-butyl-2,6-dimethylphenylsulfur trifluoride; In dichloromethane; at 20 ℃; for 48h; Reactivity;

Reference yield: 61.0%

benzoyl chloride (98-88-4) → 2,2,2-Trifluoroacetophenone (434-45-7) + benzoyl fluoride (455-32-3) + Phenyl-(2-trifluoromethyl-2H-pyridin-1-yl)-methanone (144459-40-5) + Phenyl-(4-trifluoromethyl-4H-pyridin-1-yl)-methanone (144459-48-3)

Guidance literature:

With bis(trifluoromethyl)cadmium*glyme; In pyridine; diethyl ether; for 24h; Further byproducts given; Ambient temperature;

DOI:10.1016/S0022-1139(00)81104-5

upstream raw materials:

sodium benzoate

phenylsulfonyl fluoride

benzoyl chloride

Benzotrichlorid

Downstream raw materials:

perfluoroisopropyl phenyl ketone

N-phenyl benzoyl amide

fluorophosphoric acid diethyl ester

benzoic acid ethyl ester

Refernces

• 1、 Durig, J. R.,Bist, H. D.,Furic, K.,Qiu, J.,Little, T. S.. "FAR INFRARED SPECTRA AND BARRIERS TO INTERNAL ROTATION OF BENZALDEHYDE, BENZOYL FLUORIDE, BENZOYL CHLORIDE AND ACETOPHENONE". . p. 45 - 56. Retrieved 1985.
• 2、 Yanagida et al.. "". . p. 2893. Retrieved 1977.
• 3、 Maschenzew. "-". . . Retrieved 1946.
• 4、 Lee, Hyo-Jun,Huang, Xiao,Sakaki, Shigeyoshi,Maruoka, Keiji. "Metal-free approach for hindered amide-bond formation with hypervalent iodine(iii) reagents: application to hindered peptide synthesis". . p. 848 - 855. Retrieved 2021/02/09.
• 5、 Liang, Yumeng,Zhao, Zhengyu,Taya, Akihito,Shibata, Norio. "Acyl fluorides from carboxylic acids, aldehydes, or alcohols under oxidative fluorination". supporting information. p. 847 - 852. Retrieved 2021/02/06.