Perbenzoic acid

Base Information

• Chemical Name: Perbenzoic acid
• CAS No.: 93-59-4
• Molecular Formula: C7H6 O3
• Molecular Weight: 138.123
• Hs Code.: 29213099
• European Community (EC) Number: 202-260-2
• UNII: C0EZ97V99I
• DSSTox Substance ID: DTXSID10239223
• Nikkaji Number: J4.679E
• Wikipedia: Peroxybenzoic_acid
• Wikidata: Q416737
• Mol file: 93-59-4.mol

Synonyms:Dentavon;perbenzoic acid;peroxybenzoic acid

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Chemical Property of Perbenzoic acid

Chemical Property:

• Appearance/Colour: clear colorless to very slightly yellow liquid
• Vapor Pressure: 0.0112mmHg at 25°C
• Melting Point: 41-43°
• Refractive Index: 1.4600 (estimate)
• Boiling Point: 250.7°C at 760 mmHg
• PKA: 7.98±0.40(Predicted)
• Flash Point: 106.6°C
• PSA: 46.53000
• Density: 1.275g/cm³
• LogP: 1.31640
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 138.031694049
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

Safty Information:

• Pictogram(s): F,C,Xi
• Hazard Codes: F,C,Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)OO
• Uses: Perbenzoic acid is used to convert ethylenic compounds into oxides; in analysis of unsatd compounds, to determine the number of double bonds. Peroxybenzoic acid is used in organic analyses to measure the degree of unsaturation,and in making epoxides.

Technology Process of Perbenzoic acid

There total 56 articles about Perbenzoic acid 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: 83.2%

benzaldehyde (100-52-7) → Perbenzoic acid (93-59-4) + benzoic acid (65-85-0,8013-63-6) + dibenzoyl peroxide (94-36-0)

Guidance literature:

With oxygen; ozone; lithium chloride; In tetrachloromethane; at 40 ℃;

Reference yield: 80.1%

benzoic acid (65-85-0,8013-63-6) → Perbenzoic acid (93-59-4)

Guidance literature:

With potassium peroxomonosulphate; AG 50W-X₈; N-benzyl-N,N,N-triethylammonium chloride; In diethyl ether; water; at 20 ℃; for 15h;

Reference yield: 80.0%

Benzoylformic acid (611-73-4) → Perbenzoic acid (93-59-4) + benzoic acid phenyl ester (93-99-2) + biphenyl (92-52-4,1594-86-1) + benzaldehyde (100-52-7)

Guidance literature:

With oxygen; In benzene; at 20 ℃; Product distribution; Quantum yield; Irradiation; effect of olefines and additives on the photooxidation, other solvents; air;

DOI:10.1021/ja00411a033

upstream raw materials:

diethyl ether

acetyl benzoyl peroxide

sodium ethanolate

chloroform

Downstream raw materials:

methanesulfonic acid

tris-methanesulfonyl-methane

malaldehyde bis-phenylhydrazone

pyridine N-oxide

Refernces

Some Reactions of α- and β-Cholesteryl Benzoate Oxides

10.1039/jr9390001356

The study investigates the reactions of α- and β-cholesteryl benzoate oxides, which are prepared through the treatment of cholesteryl benzoate with perbenzoic acid. These oxides are key compounds in the research. α-Cholesteryl benzoate oxide, when treated with hydrochloric acid, yields 6-chloro-5-hydroxy-3-benzoyloxycholestane, which upon dehydration forms 6-chloro-3-benzoyloxy-A4-cholestene. Similarly, β-cholesteryl benzoate oxide reacts with hydrochloric acid to produce 5-chloro-6-hydroxy-3-benzoyloxycholestane. The study also explores the isomerization of α-cholesteryl benzoate oxide to 6-ketocholestanyl benzoate using dehydrated alum or phosphoric oxide. Additionally, the researchers attempted to replicate the preparation of α-benzoate oxide via pyrolysis of the dibenzoate of 3:5:6-trihydroxycholestane, but encountered issues with impurities. The study provides detailed experimental procedures and characterizations of the compounds involved, highlighting the differences in behavior between α- and β-cholesteryl benzoate oxides and their derivatives.