3-Chlorperbenzoesure
m-Chloroperbenzoic acid
Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen
Grundinformationen
- CAS
937-14-4- Standard-SMILES
O=C(OO)c1cccc(Cl)c1- InChIKey
NHQDETIJWKXCTC-UHFFFAOYSA-N- Summenformel
- C7H5ClO3
- Durchschnittliche Molmasse
- 172,56 g/mol
- Monoisotopische Masse
- 171,9927217
Überblick
This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide in a solvent slurry.
Namen und Bezeichner
- Bevorzugter Name
- m-Chloroperbenzoic acid
- IUPAC
- 3-chlorobenzenecarboperoxoic acid
- Lokaler Name
- 3-Chlorperbenzoesure
- Englischer Name
- 3-Chloroperoxybenzoic acid
- Summenformel
- C7H5ClO3
- Molmasse
- 172.57
Namen und Synonyme
3-Chloroperoxybenzoic acid937-14-43-Chloroperbenzoic acidM-Chloroperoxybenzoic acidM-Chloroperbenzoic acidMCPBA3-Chlorobenzenecarboperoxoic acidm-CPBABenzenecarboperoxoic acid, 3-chloro-m-Chlorobenzoyl hydroperoxidePerbenzoic acid, m-chloro-Peroxybenzoic acid, m-chloro-
Weitere Namen anzeigen
M-Chloroperoxybenzoic3-Chloroperoxybenzoic Acid (MCPBA)3-ChL3-CHLOROPEROXYBENZOIC ACID, 50-55%
G203D4H1RBNSC-97094DTXSID0061325CHEBI:52091RefChem:93524DTXCID7048879213-322-33-chlorobenzoperoxoic acid
Datenbank-Bezeichner
- CAS
937-14-4- PubChem CID
- 70297
- DTXSID
DTXSID0061325- ChEMBL
CHEMBL458855- ChEBI
CHEBI:52091- UNII
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,4
- Polarare Oberfläche (TPSA)
- 46,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 149
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Other Organic Compounds
Physical Description
This solid peroxide is sensitive to heat. Storage of this material must be done so with stringent temperature control measures. Its explosion hazard is also mitigated by mixing the peroxide in a solvent slurry.
Solid; [CAMEO] White, wet crystalline aggregates; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 69 · 69-71 °C(lit.)
- Siedepunkt
- 244.67 °C · 244.67°C (rough estimate)
- Dichte
- 0.56 · 0.56
- Dampfdruck
- 0.373 Pa · 0.373Pa at 25℃
- Brechungsindex
- 1.458 · 1.4580 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- pka
- 7.57 · 7.57 (in water @ 25 °C)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H226 (60%): Flammable liquid and vapor [Warning Flammable liquids]
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, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 60 reports by companies from 22 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Benzenecarboperoxoic acid, 3-chloro-
Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27379
Benzenecarboperoxoic acid, 3-chloro-: Does not have an individual approval but may be used under an appropriate group standard
DOT LabelOrganic Peroxide
Fire HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Health HazardsExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Hazards Summary
A strong oxidizing agent that may ignite combustible materials; Explosion hazard by heat, shock, friction, or contamination; [CAMEO] Wetted with 57-86% water; An oxidizer that may cause fire on contact with combustible materials; May explode on heating; Causes irritation or burns; [Sigma-Aldrich MSDS]
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)
Electron-accepting molecules in chemical reactions in which electrons are transferred from one molecule to another (OXIDATION-REDUCTION).
Verwendung und Herstellung
UsesAn oxidizing agent; [ChemIDplus]
General Manufacturing InformationBenzenecarboperoxoic acid, 3-chloro-: ACTIVE
Anwendungen
Verwenden3-Chloroperoxybenzoic acid is a strong oxidizing agent used in the oxidation reactions such as aldehydes and ketones to esters (Bayer-Villiger-Oxidation), olefines to epoxides, sulfides to sulfoxides and sulfones, and amines to nitroalkanes, N-oxides.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Zugehörige Reaktionen
10.381
Notizen zur Verbindung
Wird geladen…