Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2,3,4,7,8-헥사클로로디벤조푸란
1,2,3,4,7,8-헥사클로로디벤조푸란 · 1,2,3,4,7,8-HXCDF · 1,2,3,4,7,8-HCDF · 1,2,3,4,7,8-HEXACDF · 123478HEXACHLORODIBENZO-PARA-FURAN · Hexachlorodibenzofuran, 1,2,3,4,7,8- · 1,2,3,4,7,8-HEXACHLORODIPHENYLENEOXIDE · 1,2,3,4,7,8-hexachlorodibenzo[b,d]furan
식별자 및 물리적 특성
| CAS No. | 55684-94-1 |
|---|---|
| 분자식 | C12H2Cl6O |
| 평균 분자량 | 374.9 g/mol |
| 단동위원소 질량 | 371.823681 g/mol |
| SMILES | Clc1cc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2cc1Cl |
| InChIKey | LVYBAQIVPKCOEE-UHFFFAOYSA-N |
| PubChem CID | 51130 |
| ChEMBL | CHEMBL342717 |
| ChEBI | CHEBI:81509 |
| EC No. | 694-812-8 |
| DTXSID | DTXSID6029915 |
| 현지명 | 1,2,3,4,7,8-헥사클로로디벤조푸란 |
화학 및 물리적 성질
| XLogP | 6.9 |
|---|---|
| 극성 표면적 | 13.1 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 19 |
| 형식 전하 | 0 |
| 복잡도 | 355 |
| Polymers | Other Classes -> Halogenated Polyaromatics |
| SpringerMaterials Properties | Boiling point |
| LogP(분배 계수) | 6.6 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 165.3 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| 녹는점 | 226°C |
| 끓는 점 | 510.41°C (rough estimate) |
| 밀도 | 1.7200 (estimate) |
| 굴절률 | 1.7180 (rough estimate) |
| 용해도 | 클로로포름(약간 용해됨, 가열), 에탄올(약간 용해됨) |
| 물리적 상태 | 고체 |
| 색상 | 흰색에서 연한 노란색 |
| 용해도 | 0.008247ug/L(22.5ºC) |
| 헨리 상수 | 6.9×10-1 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| EPA | 1,2,3,4,7,8-Hexachlorodibenzofuran (70648-26-9) |
안전 및 규제
| GHS 분류 | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Hazard Traits - BioaccumulationCarcinogenicityDermatotoxicityDevelopmental ToxicityEndocrine ToxicityEnvironmental PersistenceEnvironmental toxHematotoxicityHepatotoxicity and Digestive System ToxicityReproductive ToxicityRegulation (EC) No 178/2002 (amended) |
| 유해성 요약 | Teratogenicity observed in mice at doses not maternally toxic[Shepard's Catalog of Teratogenic Agents] Causes other liver changes in acute intraperitoneal studies of mice and ratsCauses changes in liver weight, other liver changes, and effects on hepatic microsomal mixed oxidase in 4-day intermittent oral studies of mice[RTECS] See CHLORINATED DIBENZOFURANS. |
| Hazard Classes and Categories | Acute Tox. 3 (100%) |
| Protective Action Criteria (PAC) | 0.0013 [mg/m3]0.014 [mg/m3]0.085 [mg/m3] |
| 건강 영향 | CDFs cause vomiting and diarrhea, anemia, more frequent lung infections, numbness and other effects on the nervous system, and mild changes in the liver. However, there were no permanent liver changes or definite liver damage found in people who ingested CDFs. (L952) |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| 노출 경로 | Inhalation (L952)dermal (L952)oral (L952) |
| 독성 요약 |
용도
용도
1,2,3,4,7,8-hexachlorodibenzofuran, is a toxic polychlorinated dibenzofurans (PCDD/F), detected in domestic meat and poultry. It can be used as purified standards for analytical, toxic, and biological studies of these environmental contaminants.