CHEBI:52091 - 3-chloroperbenzoic acid

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ChEBI Name 3-chloroperbenzoic acid
ChEBI ID CHEBI:52091
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Colin Batchelor
Supplier Information
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Formula C7H5ClO3
Net Charge 0
Average Mass 172.56600
Monoisotopic Mass 171.99272
InChI InChI=1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H
InChIKey NHQDETIJWKXCTC-UHFFFAOYSA-N
SMILES OOC(=O)c1cccc(Cl)c1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-chloroperbenzoic acid (CHEBI:52091) is a monochlorobenzenes (CHEBI:83403)
3-chloroperbenzoic acid (CHEBI:52091) is a peroxy acid (CHEBI:52094)
IUPAC Name
3-chlorobenzenecarboperoxoic acid
Synonyms Sources
3-Chloroperoxybenzoic acid ChemIDplus
m-Chlorobenzoyl hydroperoxide ChemIDplus
m-CPBA SUBMITTER
MCPBA SUBMITTER
meta-chloroperbenzoic acid SUBMITTER
meta-chloroperoxybenzoic acid SUBMITTER
Registry Numbers Types Sources
608317 Beilstein Registry Number Beilstein
937-14-4 CAS Registry Number ChemIDplus
937-14-4 CAS Registry Number NIST Chemistry WebBook
Last Modified
23 October 2014
Submitter Remark
2009-03-09 14:58:23.0 Marcus Ennis Whether we should include the relationship '3-chloroperoxybenzoic acid is_a peroxides' is debatable. I propose instead to create a new class of 'peroxy acids', defined in the Gold Book as 'Acids in which an acidic ���OH group has been replaced by an ���OOH group', with parent oxoacids (CHEBI:24833), and place the current submission there.