化工社化工社 化学情報印刷レポート · 研究参考用
2,2',3,3',6-ペンタクロロ-1,1'-ビフェニル
2,2',3,3',6-ペンタクロロ-1,1'-ビフェニル · 2,2',3,3',6-ペンタクロロビフェニル · 2,2′,3,3′,6‐ペンタクロロビフェニル標準品 · 2,2′,3,3′,6‐ペンタクロロビフェニル標準液 · 2,2',3,3',6-ペンタクロロビフェニル, 100 µg/mL in Isooctane · 2,2′,3,3′,6-ペンタクロロ-1,1′-ビフェニル · 2,2′,3,3′,6-ペンタクロロビフェニル · PCB-84
識別子と物理属性
| CAS No. | 52663-60-2 |
|---|---|
| 分子式 | C12H5Cl5 |
| 平均分子量 | 326.4 g/mol |
| 単同位体質量 | 323.883389 g/mol |
| SMILES | Clc1cccc(-c2c(Cl)ccc(Cl)c2Cl)c1Cl |
| InChIKey | QVWUJLANSDKRAH-UHFFFAOYSA-N |
| PubChem CID | 40468 |
| EC No. | 690-209-9 |
| DTXSID | DTXSID0073536 |
| 現地名 | 2,2',3,3',6-ペンタクロロ-1,1'-ビフェニル |
化学・物理的性質
| XLogP | 6 |
|---|---|
| 極性表面積 | 0 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 0 |
| 回転可能結合数 | 1 |
| 重原子数 | 17 |
| 形式電荷 | 0 |
| 複雑度 | 259 |
| LogP（分配係数） | 6.04 |
| Collision Cross Section | 158.5 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs] |
| 融点 | 95.86°C (estimate) |
| 沸点 | 412.3°C (rough estimate) |
| 密度 | 1.5220 (rough estimate) |
| 屈折率 | 1.6200 (rough estimate) |
| 溶解度 | 47.02ug/L(20℃) |
| ヘンリー定数 | 5.7×10-2 mol/(m3Pa) at 25℃, Murphy et al. (1987) |
| EPAの化学物質情報 | 2,2',3,3',6-Pentachlorobiphenyl (52663-60-2) |
安全性と法規制
| GHS 分類 | This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports.Not ClassifiedAggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Minimum Risk Level | Intermediate Oral: 0.03 ug/kg/day (L134) |
| Treatment | There are no specific treatments for PCB poisoning, since it is not usually recognized until after substantial chronic exposure. Only preventing further exposure and treating the observed symptoms can be done. Acute inhalation can be treated by administering oxygen. (L4) |
| 健康影響 | The most common health effects of PCBs are skin conditions such as chloracne and rashes. Chronic PCB exposure has also been shown to cause liver, stomach and kidney, damage, jaundice, edema, anemia, changes in the immune system, behavioral alterations, and impaired reproduction. (L4) |
| 暴露経路 | Oral (L4)inhalation (L4)dermal (L4) |
| 毒性の概要 | The mechanism of action varies with the specific PCB. Dioxin-like PCBs bind to the aryl hydrocarbon receptor, which disrupts cell function by altering the transcription of genes, mainly be inducing the expression of hepatic Phase I and Phase II enzymes, especially of the cytochrome P450 family. Most of the toxic effects of PCBs are believed to be results of Ah receptor binding. Other PBCs are believed to interfere with calcium channels and/or change brain dopamine levels. PCBs can also cause endocrine disurption by altering the production of thyroid hormones and binding to estrogen receptors, which can stimulate the growth of certain cancer cells and produce other estrogenic effects, such as reproductive dysfunction. They will bioaccumulate by binding to receptor proteins such as uteroglobin. (A3, A4, A30, A66) |
| Signs and Symptoms | Chronic PCB exposure results in symptoms such as abdominal pain, nausea, vomiting, diarrhea, headache, dizziness, depression, nervousness, dermal and ocular lesions, fatigue, irregular menstrual cycles and a lowered immune response. (A3) |
| Carcinogen Classification | 1, carcinogenic to humans. (L135) |
| Toxicity Data |
用途
使用
2,2'',3,3'',6-Pentachlorobiphenyl is a polychlorinated biphenyl (PCB) congeners.