Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
3-클로로페록시벤조산
3-클로로과안신향산 · 3-클로로과옥시벤조산 · m-클로로과안신향산 · 3-클로로페록시벤조산 · M-CPBA · M-CHLOROPERBENZOIC ACID · 3-CHLOROPERBENZOIC ACID · 3-chlorobenzoperoxoic acid
식별자 및 물리적 특성
| CAS No. | 937-14-4 |
|---|---|
| 분자식 | C7H5ClO3 |
| 평균 분자량 | 172.56 g/mol |
| 단동위원소 질량 | 171.9927217 g/mol |
| SMILES | O=C(OO)c1cccc(Cl)c1 |
| InChIKey | NHQDETIJWKXCTC-UHFFFAOYSA-N |
| PubChem CID | 70297 |
| ChEMBL | CHEMBL458855 |
| ChEBI | CHEBI:52091 |
| EC No. | 213-322-3 |
| DTXSID | DTXSID0061325 |
| 현지명 | 3-클로로페록시벤조산 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 11 |
| 형식 전하 | 0 |
| 복잡도 | 149 |
| 물질 분류 | Other 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.[CAMEO] White, wet crystalline aggregates[Alfa Aesar MSDS] |
| 녹는점 | 69-71 °C(lit.) |
| 끓는 점 | 244.67°C (rough estimate) |
| 밀도 | 0.56 |
| 증기압 | 0.373Pa at 25℃ |
| 굴절률 | 1.4580 (estimate) |
| 저장 조건 | 2-8°C |
| 용해도 | 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨), 메탄올(약간 용해됨) |
| pKa(산도 계수) | 7.57 (in water @ 25 °C) |
| 물리적 상태 | 촉촉한 파우더 |
| 색상 | 하얀색 |
| pH | 4.5@25 °C (saturated aq. sol) |
| 냄새 | 약간 자극적인 냄새 |
| 용해도 | 불용성 |
| BRN | 608317 |
| 안정성 | 강한 산화제 - 가연성 물질과 접촉하면 화재가 발생할 수 있습니다. 충격이나 열에 민감할 수 있습니다. 유기 물질과 호환되지 않으며 강력한 환원제입니다. |
| InChI | 1S/C7H5ClO3/c8-6-3-1-2-5(4-6)7(9)11-10/h1-4,10H |
| InChIKey | NHQDETIJWKXCTC-UHFFFAOYSA-N |
| SMILES | OOC(=O)c1cccc(Cl)c1 |
| LogP(분배 계수) | 1.03 at 25℃ |
| NIST | 3-Chloroperbenzoic acid(937-14-4) |
| EPA | Benzenecarboperoxoic acid, 3-chloro- (937-14-4) |
화학적 성질
White moist powder
안전 및 규제
| GHS 분류 | DangerH226 (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. |
|---|---|
| 규제 정보 | Chemical: Benzenecarboperoxoic acid, 3-chloro-Status: Active Update: 19-12-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/27379Benzenecarboperoxoic acid, 3-chloro-: Does not have an individual approval but may be used under an appropriate group standard |
| 운송 라벨(DOT) | Organic Peroxide |
| 화재 위험 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 건강 유해성 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 유해성 요약 | A strong oxidizing agent that may ignite combustible materialsExplosion hazard by heat, shock, friction, or contamination[CAMEO] Wetted with 57-86% waterAn oxidizer that may cause fire on contact with combustible materialsMay explode on heatingCauses irritation or burns[Sigma-Aldrich MSDS] |
| 반응성 그룹 | Halogenated Organic Compounds |
| Reactivity Alerts | Explosive |
| Reactivity Profile | May explode from heat, shock, friction or contamination. May ignite combustibles (wood, paper, oil, clothing, etc.). May be ignited by heat, sparks or flames. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
| Hazard Classes and Categories | Flam. Liq. 3 (60%) |
| CSL Reaction Information | CSL000763-CHLOROPEROXYBENZOIC ACID + 2-BROMO-6-METHYLPYRIDINEexploded on the rotovap after work upExplosiveUser-Reported7/8/18 |
| 소화 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 응급 처치 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| 비화재 누출 대응 | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 145 [Organic Peroxides (Heat and Contamination Sensitive)]: |
| Protective Action Criteria (PAC) | 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)]: |
| 유해 작용 | Dermatotoxin - Skin burns. |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | SD9470000 |
| 운송 번호(UN) | UN 3106 5.2 |
| 관세 코드 | 29163990 |
| 위험 문구(R) | 5-8-36/37/38-43-7-34-22 |
| 위험 표시 | O,Xi,C |
| 안전 문구(S) | 17-26-36/37-45-36/37/39-3/7-14-27-7/9 |
| 포장분류 | II |
| 위험 등급 | 5.2Aquatic Acute 1Aquatic Chronic 1Eye Dam. 1Org. Perox. DSkin Corr. 1CSkin Sens. 1 |
| 기존화학 물질 | KE-05526 |
| F 고인화성물질 | 4.4 |
| 저장 분류 | 5.2 - Organic peroxides and self-reacting hazardous materials |
용도
용도
3-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 설명
3-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.