meta-Chloroperoxybenzoic acid

C₇H₅ClO₃CAS 937-14-4172.56 g/mol

Open in Covalent MOL file

Aryl halide Peroxide

Properties

Molecular formula: C₇H₅ClO₃
Molar mass: 172.56 g/mol
Exact mass: 171.9927 Da
Melting point: 93 °C (decomposes)
logP: 1.97Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Danger

H226 Flammable liquid and vapor60% of notifiers
H242 Heating may cause a fire21.7% of notifiers
H271 May cause fire or explosion; strong Oxidizer15% of notifiers
H302 Harmful if swallowed13.3% of notifiers
H314 Causes severe skin burns and eye damage71.7% of notifiers
H315 Causes skin irritation26.7% of notifiers
H317 May cause an allergic skin reaction21.7% of notifiers
H318 Causes serious eye damage65% of notifiers
H319 Causes serious eye irritation26.7% of notifiers
H335 May cause respiratory irritation25% of notifiers

Aggregated from 60 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P220, P233, P234, P235, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P283, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P306+P360, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P370+P378, P371+P380+P375, P403, P403+P233, P403+P235, P405, P410, P411, P420, P501

Identifiers

CAS number

937-14-4

SMILES

O=C(OO)c1cccc(Cl)c1

InChIKey

NHQDETIJWKXCTC-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H

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Names and synonyms

13 names · show all

Benzenecarboperoxoic acid, 3-chloro-
Peroxybenzoic acid, m-chloro-
3-Chlorobenzenecarboperoxoic acid
3-Chloroperbenzoic acid
3-Chloroperoxybenzoic acid
m-Chlorobenzoyl hydroperoxide
m-Chloroperoxobenzoic acid
MCPBA
m-Chloroperbenzoic acid
m-Chloroperoxybenzoic acid
NSC 97094
3-Chlorobenzoperoxoic acid
3-Chlorobenzene-1-carboperoxoic acid

Reactions

m-CHLOROPERBENZOIC ACID (Benzenecarboperoxoic acid, 3-chloro-)product

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 937-14-4. Each row opens the sheet with its composition and PDF.

3-Chloroperoxybenzoic acid, 70-75% 70–76 %Fisher Scientific UK · 2024-02-09

Open in the SDS library

Work with meta-Chloroperoxybenzoic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

m-Chlorobenzoic acid methyl ester2905-65-964 % similar Peroxybenzoic acid93-59-460 % similar Ethyl m-chlorobenzoate1128-76-358 % similar 3-Chlorobenzoic acid535-80-855 % similar 3-Chlorobenzoyl chloride618-46-252 % similar 3-Chlorobenzophenone1016-78-050 % similar 1-(3-Chlorophenyl)ethanone99-02-550 % similar 2,3'-Dichloroacetophenone21886-56-647 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chlorosalicylic acid1829-32-9 5-Chlorosalicylic acid321-14-2 4-Chloro-3-hydroxybenzoic acid34113-69-4 3-Chloro-4-hydroxybenzoic acid3964-58-7 4-Chlorosalicylic acid5106-98-9 3-Chloro-5-hydroxybenzoic Acid53984-36-4 2-Chloro-4-hydroxybenzoic acid56363-84-9 2-Chloro-5-hydroxybenzoic acid56961-30-9

Elsewhere

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