p-Chlorobenzoyl peroxide

C₁₄H₈Cl₂O₄CAS 94-17-7311.11 g/mol

Open in Covalent MOL file

Aryl halide Peroxide

Properties

Molecular formula: C₁₄H₈Cl₂O₄
Molar mass: 311.11 g/mol
Exact mass: 309.9800 Da
Melting point: 137–138 °C
logP: 3.92Crippen estimate
Polar surface area: 52.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H241 Heating may cause a fire or explosion57.1% of notifiers
H242 Heating may cause a fire42.9% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation57.1% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P234, P235, P240, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P370+P380+P375[+P378], P403, P403+P233, P405, P410, P411, P420, P501

Identifiers

CAS number

94-17-7

SMILES

O=C(OOC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1

InChIKey

OXYKVVLTXXXVRT-UHFFFAOYSA-N

InChI

InChI=1S/C14H8Cl2O4/c15-11-5-1-9(2-6-11)13(17)19-20-14(18)10-3-7-12(16)8-4-10/h1-8H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

10 names

Peroxide, bis(4-chlorobenzoyl)
Peroxide, bis(p-chlorobenzoyl)
Bis(4-chlorobenzoyl) peroxide
Bis(p-chlorobenzoyl) peroxide
p,p′-Dichlorobenzoyl peroxide
4-Chlorobenzoyl peroxide
p,p′-Dichlorodibenzoyl peroxide
Cadox PS
Di(p-chlorobenzoyl) peroxide
4,4′-Dichlorobenzoyl peroxide

Work with p-Chlorobenzoyl peroxide

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

Methyl 4-chlorobenzoate1126-46-167 % similar Ethyl 4-chlorobenzoate7335-27-560 % similar 4,4′-Dichlorobenzil3457-46-356 % similar 4,4′-Dichlorobenzophenone90-98-256 % similar Benzoyl peroxide94-36-056 % similar p-Chlorophenyl benzoate2005-08-555 % similar 4-Chlorobenzoyl chloride122-01-052 % similar 4-Chlorobenzamide619-56-752 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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