Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,2,3,6,7,9-헥사클로로디벤조-파라-다이옥신
1,2,3,6,7,9-헥사클로로디벤조-파라-다이옥신 · 1,2,3,6,7,9-HxCDD · 1,2,3,6,7,9-Hexachlorodibenzodioxin · 1,2,4,6,7,8-Hexachlorodibenzo-p-dioxin · 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin · 1,2,3,6,7,9-Hexachlorodibenzo[1,4]dioxin · 1,2,3,6,7,9-HEXACHLORODIBENZO-PARA-DIOXIN · Dibenzo[b,e][1,4]dioxin, 1,2,3,6,7,9-hexachloro-
식별자 및 물리적 특성
| CAS No. | 58802-51-0 |
|---|---|
| 분자식 | C12H2Cl6O2 |
| 평균 분자량 | 390.9 g/mol |
| 단동위원소 질량 | 387.818595 g/mol |
| SMILES | Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)cc(Cl)c(Cl)c1O2 |
| InChIKey | BQOHWGKNRKCEFT-UHFFFAOYSA-N |
| PubChem CID | 47367 |
| DTXSID | DTXSID3074074 |
| 현지명 | 1,2,3,6,7,9-헥사클로로디벤조-파라-다이옥신 |
화학 및 물리적 성질
| XLogP | 6.9 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 20 |
| 형식 전하 | 0 |
| 복잡도 | 372 |
| LogP(분배 계수) | 7.59 |
| 녹는점 | 260.13°C (estimate) |
| 끓는 점 | 475.35°C (rough estimate) |
| 밀도 | 1.8350 (estimate) |
| 굴절률 | 1.6710 (estimate) |
| 헨리 상수 | 2.2×100 mol/(m3Pa) at 25℃, Wang and Wong (2002) |
| EPA | 1,2,3,6,7,9-Hexachlorodibenzo-p-dioxin (64461-98-9) |
안전 및 규제
| Minimum Risk Level | Acute Oral: 0.0002 ug/kg/day (L134) Intermediate Oral: 0.00002 ug/kg/day (L134) Chronic Oral: 0.000001 ug/kg/day (L134) |
|---|---|
| Treatment | Treatment of CDD exposure may include washing the area of contact, GI decontamination, administering an IV, or forced alkaline diuresis. (L346) |
| 건강 영향 | Exposure to large amounts of CDDs causes chloracne, a severe skin disease with acne-like lesions that occur mainly on the face and upper body. CDDs may also cause liver damage and induce long-term alterations in glucose metabolism and subtle changes in hormonal levels. In addition, studies have shown that CDDs may disrupt the endocrine system and weaken the immune system, as well as cause reproductive damage and birth defects, central and peripheral nervous system pathology, thyroid disorders, endometriosis, and diabetes. (L177, L178) |
| 노출 경로 | Oral (L177)inhalation(L177)dermal (L177) |
| 독성 요약 | CDDs cause their toxic effects by binding to the aryl hydrocarbon receptor and subsequently altering the transcription of certain genes. The affinity for the Ah receptor depends on the structure of the specific CDD. The change in gene expression may result from the direct interaction of the Ah receptor and its heterodimer-forming partner, the aryl hydrocarbon receptor nuclear translocator, with gene regulatory elements or the initiation of a phosphorylation/dephosphorylation cascade that subsequently activates other transcription factors. The affected genes include several oncogenes, growth factors, receptors, hormones, and drug-metabolizing enzymes. The change in transcription/translation of these genes is believed to be the cause of most of the toxic effects of CDDs. (L177) |
| Signs and Symptoms | In addition to chloracne, CDD exposure causes skin rashes, discoloration, and excessive body hair. (L177) |
| Carcinogen Classification | 3, not classifiable as to its carcinogenicity to humans. (L135) |