3-Chlorperbenzoesure

m-Chloroperbenzoic acid

HCID 70297CAS 937-14-4

Grundinformationen

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
G203D4H1RB
EC Number
213-322-3
Nikkaji
J27.520D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,4
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
11

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Other Organic Compounds
Physical Description · 2 Einträge

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

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 3 Einträge

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 · 1 Eintrag

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]

Reactive GroupHalogenated Organic Compounds

Sicherheit und Schutzausrüstung

Fire FightingExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
First AidExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Nonfire Spill ResponseExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Isolation and EvacuationExcerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:
Protective Action Criteria (PAC) · 3 Einträge

5.4 [mg/m3]

60 [mg/m3]

360 [mg/m3]

Personal Protective Equipment (PPE)Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]:

Toxikologische Informationen

Adverse EffectsDermatotoxin - Skin burns.

Sicherheitsdaten

F
4.4
wgk
3
tsca
TSCA listed
ridadr
UN 3106 5.2
hs_code
29163990
RTECS-Nr.
SD9470000

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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 · 1 Eintrag

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.

Anbieter50 Anbieter

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