基本情報
- CAS
40321-76-4- 標準SMILES
Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Cl)c1Cl)O2- InChIKey
FSPZPQQWDODWAU-UHFFFAOYSA-N- 分子式
- C12H3Cl5O2
- 平均分子量
- 356.4 g/mol
- 単同位体質量
- 353.857568
概要
1,2,3,7,8-Pentachlorodibenzodioxin is a polychlorinated dibenzodioxine.
名称と識別子
- 優先名称
- 1,2,3,7,8-Pentachlorodibenzo-p-dioxin
- IUPAC
- 1,2,3,7,8-pentachlorodibenzo-p-dioxin
- 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
- 英語名
- 1,2,3,7,8-PENTACHLORODIBENZO-P-DIOXIN
- 分子式
- C12H3Cl5O2
- 分子量
- 356.42
名称と別名
1,2,3,7,8-PENTACHLORODIBENZO-P-DIOXIN40321-76-41,2,3,7,8-Pentachlorodibenzodioxin1,2,3,7,8-PeCDDPCDD 54Dibenzo-p-dioxin, 1,2,3,7,8-pentachloro-2NE6H0QPCHDTXSID70520781,2,3,7,8-Pentachlorooxanthrene1,2,3,7,8-Pentachlorodibenzo(b,e)(1,4)dioxin1,2,3,7,8-Pentachlorodibenzo[b,e][1,4]dioxinDibenzo(b,e)(1,4)dioxin, 1,2,3,7,8-pentachloro-
名称をさらに表示
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１，２，３，７，８ペンタクロロジベンゾパラジオキシン1,2,3,7,8－ペンタクロロジベンゾ－p－ダイオキシン1,2,3,7,8-ペンタクロロジベンゾジオキシン1,2,3,7,8-五塩化ジベンゾ-p-ジオキシン1,2,3,7,8-ペンタクロロジベンゾ-P-ダイオキシン (50ΜG/ML トルエン溶液)1,2,3,7,8-ペンタクロロジベンゾ-P-ダイオキシン, 非標識 50ΜG/MLノナン溶液
物性
構造計算による物性
- XLogP
- 6.6
- 極性表面積
- 18.5 Ų
- 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
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
LogP6.64
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section165.2 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
物理化学的性質
- 融点
- 206 °C · 206°C (estimate)
- 沸点
- 442.63 °C · 442.63°C (rough estimate)
- 比重(密度)
- 1.78 · 1.7800 (estimate)
- 屈折率
- 1.661 · 1.6610 (estimate)
- 溶解性
- n-nonane: Soluble
- Henry's Law Constant
- 5.2 · 5.2×10-5 mol/(m3Pa) at 25℃, Paasivirta et al. (1999)
- EPAの化学物質情報
- 1 · 1,2,3,7,8-Pentachlorodibenzo-p-dioxin (40321-76-4)
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
GHS Classification
Danger
H300 (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.
危険有害性情報
Regulatory Information
Hazard Traits - Bioaccumulation; Carcinogenicity; Dermatotoxicity; Endocrine Toxicity; Environmental Persistence; Environmental tox; Hematotoxicity; Hepatotoxicity and Digestive System Toxicity; Reproductive Toxicity; Respiratory Toxicity
Regulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesAcute Tox. 1 (100%)
安全と保護具
Minimum Risk LevelAcute 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]
毒性情報
TreatmentTreatment of CDD exposure may include washing the area of contact, GI decontamination, administering an IV, or forced alkaline diuresis. (L346)
Health Effects
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)
化学と産業
薬理情報
Metabolism/Metabolites
CDDs are absorbed through oral, inhalation, and dermal routes of exposure. CDDs are carried in the plasma by serum lipids and lipoproteins, distributing mainly to the liver and adipose tissue. CDDs are very slowly metabolized by the microsomal monooxygenase system to polar metabolites that can undergo conjugation with glucuronic acid and glutathione. They may increase the rate of their own metabolism by inducing both phase I and phase II enzymes. The major routes of excretion of CDDs are the bile and the faeces, though smaller amounts are excreted in the urine and via lactation. (L177)
用途と製造
Uses
Dioxins occur as by-products from the manufacture of organochlorides, the bleaching of paper, chlorination by waste and drinking water treatment plants, municipal solid waste and industrial incinerators, and natural sources such as volcanoes and forest fires. (L177, L178)
応用分野
使用A toxic polychlorinated dibenzo-p-dioxin detected in domestic meat and poultry.
上流・下流製品情報
上流原料
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