3-클로로페록시벤조산

m-Chloroperbenzoic acid

HCID 70297CAS 937-14-4

기본 정보

표준 SMILES
O=C(OO)c1cccc(Cl)c1
InChIKey
NHQDETIJWKXCTC-UHFFFAOYSA-N
분자식
C7H5ClO3
평균 분자량
172.56 g/mol
단동위원소 질량
171.9927217

개요

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.

이름 및 식별자

우선 이름
m-Chloroperbenzoic acid
IUPAC
3-chlorobenzenecarboperoxoic acid
현지명
3-클로로페록시벤조산
영어명
3-Chloroperoxybenzoic acid
분자식
C7H5ClO3
분자량
172.57

이름 및 동의어

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-
이름 더 보기
3-클로로과안신향산3-클로로과옥시벤조산m-클로로과안신향산3-클로로페록시벤조산3-클로로과옥시벤조산M-Chloroperoxybenzoic3-Chloroperoxybenzoic Acid (MCPBA)3-ChL3-CHLOROPEROXYBENZOIC ACID, 50-55%
G203D4H1RBNSC-97094DTXSID0061325CHEBI:52091RefChem:93524DTXCID7048879213-322-33-chlorobenzoperoxoic acid

데이터베이스 식별자

CAS
937-14-4
PubChem CID
70297
DTXSID
DTXSID0061325
ChEMBL
CHEMBL458855
ChEBI
CHEBI:52091
UNII
G203D4H1RB
EC Number
213-322-3
Nikkaji
J27.520D

물성

구조 계산 물성

XLogP
2.4
극성 표면적
46.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
2
무거운 원자 수
11

실험 및 물리화학적 성질

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

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]

물리화학적 성질

녹는점
69 · 69-71 °C(lit.)
끓는 점
244.67 °C · 244.67°C (rough estimate)
밀도
0.56 · 0.56
증기압
0.373 Pa · 0.373Pa at 25℃
굴절률
1.458 · 1.4580 (estimate)
저장 조건
2 · 2-8°C

화학적 성질

White moist powder

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Regulatory Information · 3건

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 · 1건

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

안전 및 보호

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) · 3건

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)]:

독성 정보

Adverse EffectsDermatotoxin - Skin burns.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
SD9470000
ridadr
UN 3106 5.2
HS 번호
29163990
risk_code
5-8-36/37/38-43-7-34-22

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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).

용도 및 제조

UsesAn oxidizing agent; [ChemIDplus]
General Manufacturing InformationBenzenecarboperoxoic acid, 3-chloro-: ACTIVE
응용 분야 · 2건

용도3-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.

일반 설명3-Chloroperoxybenzoic acid is sensitive to heat. Storage of 3-Chloroperoxybenzoic acid must be done so with stringent temperature control measures. It's explosion hazard is also mitigated by mixing the peroxide in a solvent slurry.

상·하류 제품 정보

하류 제품

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
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