Perbenzoic acid

HCID 523077
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Basic information

CAS
93-59-4
Standard SMILES
O=C(OO)c1ccccc1
InChIKey
XCRBXWCUXJNEFX-UHFFFAOYSA-N
Molecular formula
C7H6O3
Average molar mass
138.12 g/mol
Monoisotopic mass
138.03169405

Overview

dentavon forms perbenzoic acid in water; RN given refers to parent cpd; structure

Names & identifiers

Preferred name
Perbenzoic acid
IUPAC
benzenecarboperoxoic acid
English name
Perbenzoic acid
Molecular formula
C7H6O3
Molecular weight
138.12

Names & synonyms

Perbenzoic acidPeroxybenzoic acidBenzenecarboperoxoic acidBenzoyl hydroperoxide93-59-4C0EZ97V99IDTXSID10239223RefChem:928822DTXCID30161714202-260-2benzoperoxoic acidKyselina perbenzoova
Show more names
phenyl hydrogen carbonateBzPocarbonic acid phenyl esterXCRBXWCUXJNEFX-UHFFFAOYSA-N
Kyselina peroxybenzoovaBenzoylhydrogen peroxideBenzenecarboperoxoic-acid-UNII-C0EZ97V99IKyselina perbenzoova [Czech]DentavonCCRIS 687Kyselina peroxybenzoova [Czech]

Database identifiers

CAS
93-59-4
PubChem CID
523077
DTXSID
DTXSID10239223
UNII
C0EZ97V99I
EC Number
202-260-2
Nikkaji
J4.679E

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
46.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
10

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point
41 · 41-43°
Boiling point
15 · bp15 100-110° (partial decomposition)
Density
1.2667 · 1.2667 (rough estimate)
refractive index
1.46 · 1.4600 (estimate)
pka
7.98 · 7.98±0.40(Predicted)
color
Leaflets or platelets from pet ether

Safety & regulation

Safety data

ridadr
3104
hazard_class
5.2
packing_group
II

Chemistry & industry

Applications

UsesPerbenzoic acid is used to convert ethylenic compounds into oxides; in analysis of unsatd compounds, to determine the number of double bonds.

UsesPeroxybenzoic acid is used in organic analyses to measure the degree of unsaturation,and in making epoxides.

Upstream & downstream products

Upstream raw materials

Suppliers4 total

山东西亚化学有限公司13355009207 13355009207 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]

Related reactions

50 records
New reaction record

Compound notes

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