Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
클로랄
클로랄 · 트리클로로아세트알데히드 · 2,2,2-trichloroacetaldehyde · TRICHLOROACETALDEHYDE · Anhydrous chloral · metachloral · CCl3CHO · Trichloroethanal
식별자 및 물리적 특성
| CAS No. | 75-87-6 |
|---|---|
| 분자식 | C2HCl3O |
| 평균 분자량 | 147.38 g/mol |
| 단동위원소 질량 | 145.90929769 g/mol |
| SMILES | O=CC(Cl)(Cl)Cl |
| InChIKey | HFFLGKNGCAIQMO-UHFFFAOYSA-N |
| PubChem CID | 6407 |
| ChEMBL | CHEMBL27551 |
| ChEBI | CHEBI:48814 |
| EC No. | 200-911-5 |
| DTXSID | DTXSID7024744 |
| 현지명 | 클로랄 |
화학 및 물리적 성질
| XLogP | 1.6 |
|---|---|
| 극성 표면적 | 17.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 6 |
| 형식 전하 | 0 |
| 복잡도 | 54.3 |
| 물질 분류 | Other Classes -> AldehydesFlammable agents - 2nd degree |
| 의약품 | DEA NFLIS-Drug Category -> Depressants and TranquilizersPharmaceuticals -> Listed in ZINC15 |
| SpringerMaterials Properties | Boiling point |
| 냄새 | Pungent, irritating odor |
| 밀도 | 1.51 at 68 °F (NTP, 1992) - Denser than waterwill sink1.510 at 20 °C/4 °C1.404 at 25 °C/4 °C1.512 @ 20°C1.51 g/mL at 20 °C(lit.) |
| Color/Form | Colorless, mobile, oily liquid |
| 용해도 | Reaction (NTP, 1992)Freely soluble in water forming chloral hydrateSoluble in ethanol, etherSoluble in chloroformIn water, 8.3X10+6 mg/L at 25 °C클로로포름(소량으로 용해), DMSO(소량으로 용해), 아세트산에틸(약간 용해됨) |
| 인화점 | 167 °F (NTP, 1992)75 °C75°C |
| 끓는 점 | 208 °F at 760 mmHg (NTP, 1992)97.8 °C at 760 mm Hg97.8 °C @760 [mm Hg]94-98 °C |
| 녹는점 | -71.5 °F (NTP, 1992)-57.5 °C-57.5°C |
| 증기 밀도 | 5.1 (Air = 1) |
| Polymerization | POLYMERIZES UNDER INFLUENCE OF LIGHT & IN PRESENCE OF SULFURIC ACID FORMING WHITE SOLID TRIMER CALLED METACHLORAL. |
| 굴절률 | n20/D 1.456 |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 10.04(at 25℃) |
| 색상 | 회백색 |
| 용해도 | 녹는 |
| 비열 | Cp(liquid): 1.02 J/(g·K), at 25℃ |
| Merck | 13,9699 |
| 헨리 상수 | 3.4×103 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| 유전율 | 6.7(Ambient) |
| 안정성 | 안정적인. 가연성. 강한 산화제와 호환되지 않습니다. |
| NIST | Acetaldehyde, trichloro-(75-87-6) |
| EPA | Chloral (75-87-6) |
화학적 성질
Chloral is a combustible, oily liquid with a pungent irritating odor.
안전 및 규제
| GHS 분류 | DangerH302 (92.3%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 52 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H350: May cause cancer [Danger Carcinogenicity] |
|---|---|
| 규제 정보 | Hazard Traits - CarcinogenicityAcetaldehyde, 2,2,2-trichloro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetaldehyde, 2,2,2-trichloro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 05-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/17495Acetaldehyde, trichloro-: 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.The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| 기타 안전 정보 | IMAP assessments - Acetaldehyde, trichloro-: Environment tier I assessment |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Special Hazards of Combustion Products: Contain toxic and irritating gases including phosgene.· Combustible material: may burn but does not ignite readily. |
| 건강 유해성 | INHALATION: Sore throat, shortness of breath, drowsiness, irritation of respiratory tract, unconsciousness. EYES: Redness, pain and blurred vision. SKIN: Redness and pain. INGESTION: Dizziness, drowsiness, nausea, and unconsciousness. Acute hazard: Poison may be fatal if inhaled, swallowed, or absorbed through skin. (USCG, 1999)· TOXIC and/or CORROSIVEinhalation, ingestion or skin contact with material may cause severe injury or death. |
| 유해성 요약 | A skin, eye, and mucous membrane irritant |
용도
용도
manufacture of chloral hydrate, DDT.
일반 설명
A colorless oily liquid with a penetrating odor. Reacts with water and denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion and inhalation. Used to make pesticides.
제조 및 합성 방법
생산 방법
Chloral can be prepared by action of Cl2 on ethanol, chlorination of acetaldehyde, oxidation of 1,1,2-trichloroethylene in the presence of a catalyst (FeCl3, AlCl3, TiCl4 or SbCl3, and by reaction of CCl4 with formaldehyde.