化工社化工社 化学情報印刷レポート · 研究参考用
1,2,4,7,8-ペンタクロロジベンゾフラン標準液
1,2,4,7,8-ペンタクロロジベンゾフラン標準液 · 1,2,4,7,8-PNCDF · Dibenzofuran, 1,2,4,7,8-pentachloro-
識別子と物理属性
| CAS No. | 58802-15-6 |
|---|---|
| 分子式 | C12H3Cl5O |
| 平均分子量 | 340.4 g/mol |
| 単同位体質量 | 337.862653 g/mol |
| SMILES | Clc1cc2oc3c(Cl)cc(Cl)c(Cl)c3c2cc1Cl |
| InChIKey | GCFDWHIKRXCUPJ-UHFFFAOYSA-N |
| PubChem CID | 42839 |
| ChEMBL | CHEMBL136345 |
| DTXSID | DTXSID60207533 |
| 現地名 | 1,2,4,7,8-ペンタクロロジベンゾフラン標準液 |
化学・物理的性質
| XLogP | 6.3 |
|---|---|
| 極性表面積 | 13.1 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 0 |
| 重原子数 | 18 |
| 形式電荷 | 0 |
| 複雑度 | 328 |
| SpringerMaterials Properties | Boiling point |
| LogP（分配係数） | 6.26 |
| ヘンリー定数 | 6.2×10-1 mol/(m3Pa) at 25℃, Govers and Krop (1998) |
安全性と法規制
| 健康影響 | 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) |
|---|---|
| 暴露経路 | Inhalation (L952)dermal (L952)oral (L952) |
| 毒性の概要 | Halogenated dibenzofurans (PCDFs and PBDFs) bind the aryl hydrocarbon receptor (AhR), which increases its ability to activate transcription in the XRE (xenobiotic resoponse element) promoter region. Specifically AhR binds to the PCDF, translocates it to the nucleus and together with hydrocarbon nuclear translocator (ARNT) and xenobiotic responsive element (XRE) increases the expression of CYP1A1 and aryl hydrocarbon hydroxylase (CYP1B1). AhR signaling also increseases conversion of arachidonic acid to prostanoids via cyclooxygenase-2, alters Wnt/beta-catenin signaling downregulating Sox9 and alters signaling by receptors for inflammatory cytokines. AhR signalling also alters proteasomal degradation of steroid hormone receptors, alters cellular UVB stress response and changes the differentiation of certain T-cell subsets. The resulting AhR mediated activation and alteration leads to body weight loss, cancer and thymic atrophy (characteristic of immune and endocrine disruption) which are common toxic responses to PCDFs and related toxic halogenated aryl hydrocarbons. |
| Signs and Symptoms | Skin and eye irritations, especially severe acne, darkened skin color, and swollen eyelids with discharge are the most obvious health effects of the CDF poisoning. (L952) |
| Carcinogen Classification | 3, not classifiable as to its carcinogenicity to humans. (L135) |
用途
使用
1,2,4,7,8-Pentachlorodibenzofuran is a standard used for environmental testing and research as well as in the study of p-dioxins in produce and food.