化工社化工社 化学情報印刷レポート · 研究参考用
2,3,4,7,8-ペンタクロロジベンゾ[1,4]ジオキシン
2,3,4,7,8-ペンタクロロジベンゾ-p-ジオキシン · 2,3,4,7,8-ペンタクロロジベンゾ[1,4]ジオキシン · 2,3,6,7,8-ペンタクロロジベンゾ[b,e][1,4]ジオキシン · 2,3,6,7,8-ペンタクロロジベンゾ-p-ジオキシン · 1,2,3,7,8-ペンタクロロジベンゾ-p-ジオキシン · 1,2,3,7,8-ペンタクロロジベンゾ[1,4]ジオキシン · 1,2,3,7,8-ペンタクロロジベンゾ[b,e][1,4]ジオキシン · 1,2,3,7,8-ペンタクロロジベンゾ-P-ジオキシン標準液
![2,3,4,7,8-ペンタクロロジベンゾ[1,4]ジオキシン の分子構造式](/img/chemical/38439.png)
識別子と物理属性
| CAS No. | 40321-76-4 |
|---|---|
| 分子式 | C12H3Cl5O2 |
| 平均分子量 | 356.4 g/mol |
| 単同位体質量 | 353.857568 g/mol |
| SMILES | Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Cl)c1Cl)O2 |
| InChIKey | FSPZPQQWDODWAU-UHFFFAOYSA-N |
| PubChem CID | 38439 |
| ChEMBL | CHEMBL137220 |
| ChEBI | CHEBI:81501 |
| EC No. | 694-814-9 |
| DTXSID | DTXSID7052078 |
| 現地名 | 2,3,4,7,8-ペンタクロロジベンゾ[1,4]ジオキシン |
化学・物理的性質
| XLogP | 6.6 |
|---|---|
| 極性表面積 | 18.5 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 2 |
| 回転可能結合数 | 0 |
| 重原子数 | 19 |
| 形式電荷 | 0 |
| 複雑度 | 344 |
| SpringerMaterials Properties | Boiling point |
| LogP（分配係数） | 6.64 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 165.2 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| 融点 | 206°C (estimate) |
| 沸点 | 442.63°C (rough estimate) |
| 密度 | 1.7800 (estimate) |
| 屈折率 | 1.6610 (estimate) |
| 溶解度 | n-nonane: Soluble |
| ヘンリー定数 | 5.2×10-5 mol/(m3Pa) at 25℃, Paasivirta et al. (1999) |
| EPAの化学物質情報 | 1,2,3,7,8-Pentachlorodibenzo-p-dioxin (40321-76-4) |
安全性と法規制
| GHS 分類 | DangerH300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]P264, P270, P273, P301+P316, P321, P330, 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. |
|---|---|
| 規制情報 | Hazard Traits - BioaccumulationCarcinogenicityDermatotoxicityEndocrine ToxicityEnvironmental PersistenceEnvironmental toxHematotoxicityHepatotoxicity and Digestive System ToxicityReproductive ToxicityRespiratory ToxicityRegulation (EC) No 178/2002 (amended) |
| Hazard Classes and Categories | Acute Tox. 1 (100%) |
| 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) |
| Protective Action Criteria (PAC) | 0.00013 [mg/m3]0.0014 [mg/m3]0.0085 [mg/m3] |
| Treatment | Treatment of CDD exposure may include washing the area of contact, GI decontamination, administering an IV, or forced alkaline diuresis. (L346) |
| 健康影響 | 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) |
| 暴露経路 | Oral (L177)inhalation(L177)dermal (L177) |
| 毒性の概要 | 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) |
用途
使用
A toxic polychlorinated dibenzo-p-dioxin detected in domestic meat and poultry.