Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
펜타클로로티오페놀
펜타클로로싸이오페놀 · 펜타클로로티오페놀 · Pctp · rpa6 · RPA 6 · usafb-51 · Renacit 7 · USAF B-51
식별자 및 물리적 특성
| CAS No. | 133-49-3 |
|---|---|
| 분자식 | C6HCl5S |
| 평균 분자량 | 282.4 g/mol |
| 단동위원소 질량 | 279.82416 g/mol |
| SMILES | Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl |
| InChIKey | LLMLGZUZTFMXSA-UHFFFAOYSA-N |
| PubChem CID | 8620 |
| EC No. | 205-107-8 |
| DTXSID | DTXSID3044540 |
| 현지명 | 펜타클로로티오페놀 |
화학 및 물리적 성질
| XLogP | 5.2 |
|---|---|
| 극성 표면적 | 1 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 12 |
| 형식 전하 | 0 |
| 복잡도 | 150 |
| Color/Form | Grey solid |
| 인화점 | >300 °C closed cup |
| 녹는점 | 231.5 °C223-227 °C(lit.) |
| Physical Description | Solid[IUCLID] White to cream-colored solid with a disagreeable odor[MSDSonline] |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| 끓는 점 | 351.3±37.0 °C(Predicted) |
| 밀도 | 1.693 (estimate) |
| 저장 조건 | -20°C Freezer, Under inert atmosphere |
| 용해도 | 클로로포름 (약간 용해됨), DMSO (약간 용해됨) |
| pKa(산도 계수) | 3.14±0.50(Predicted) |
| 물리적 상태 | 고체 |
| 색상 | 미색부터 페일 베이지까지 |
| 헨리 상수 | 6.6×10-2 mol/(m3Pa) at 25℃, HSDB (2015) |
| 안정성 | 공기에 민감한 |
| InChI | InChI=1S/C6HCl5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H |
| InChIKey | LLMLGZUZTFMXSA-UHFFFAOYSA-N |
| SMILES | C1(S)=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl |
| NIST | Pentachloro benzenethiol(133-49-3) |
| EPA | Pentachlorothiophenol (133-49-3) |
화학적 성질
Light yellow powder
안전 및 규제
| GHS 분류 | WarningH319 (97.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| 규제 정보 | Chemical: Benzenethiol, pentachloro-Hazard Traits - BioaccumulationEnvironmental PersistenceAuthoritative List - Canada PBiTsReport - if used as a fragrance or flavor ingredientR - indicates a substance that is the subject of a TSCA section 6 risk management rule.Benzenethiol, pentachloro-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| 유해성 요약 | A mild eye irritant[RTECS] Emergency treatment: see Pentachlorophenol. [HSDB] A mild eye irritant, based on animal studies[MSDSonline] |
| Special Reports | European Chemicals BureauIUCLID Dataset, Pentachlorobenzenethiol (133-49-3) contains information on use, toxicology, and environmental effects of this chemical as supplied to the European Union by industry. |
| TSCA 요건 | Section 8(a) of TSCA requires manufacturers of this chemical substance to report preliminary assessment information concerned with production, exposure, and use to EPA as cited in the preamble in 51 FR 41329. Effective date 8/27/01Reporting date: 10/24/01. |
| Toxic Combustion Products | Carbon oxides, Sulphur oxides, Hydrogen chloride gas |
| Hazard Classes and Categories | Eye Irrit. 2 (97.6%) |
| Skin, Eye, and Respiratory Irritations |
용도
용도
Pentachlorothiophenol is plasticizer; is used in method for preparing outer rubber hose for high performance hydraulic oil pipe.