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1,2,3,4,6,7,9-ヘプタクロロジベンゾ[b,e][1,4]ジオキシン

1,2,3,4,6,7,9-Heptachlorodibenzo-P-dioxin

HCID 42672
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
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基本情報

CAS
58200-70-7
標準SMILES
Clc1cc(Cl)c2c(c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2
InChIKey
KTJJIBIRZGQFQZ-UHFFFAOYSA-N
分子式
C12HCl7O2
平均分子量
425.3 g/mol
単同位体質量
421.779623

概要

1,2,3,4,6,7,9-heptachlorodibenzo-p-dioxin is a white solid. Insoluble in water. (NTP, 1992)

名称と識別子

優先名称
1,2,3,4,6,7,9-Heptachlorodibenzo-P-dioxin
IUPAC
1,2,3,4,6,7,9-heptachlorodibenzo-p-dioxin
現地名
1,2,3,4,6,7,9-ヘプタクロロジベンゾ[b,e][1,4]ジオキシン
英語名
1,2,3,4,6,7,9-Heptachlorodibenzo-p-dioxin
分子式
C12HCl7O2
分子量
425.31

名称と別名

1,2,3,4,6,7,9-HEPTACHLORODIBENZO-P-DIOXIN58200-70-71,2,3,4,6,7,9-HeptachlorodibenzodioxinDibenzo-p-dioxin, 1,2,3,4,6,7,9-heptachloro-BRN 1630270UNII-D157DW362AD157DW362ADibenzo(b,e)(1,4)dioxin, 1,2,3,4,6,7,9-heptachloro-1,2,3,4,6,7,9-Heptachlorodibenzo-para-dioxinPCDD 741,2,3,4,6,7,9-HpCDD1,2,3,4,6,7,9-HEPTACHLORODIBENZO[1,4]DIOXIN
名称をさらに表示
1,2,3,4,6,7,9-ヘプタクロロジベンゾジオキシン1,2,3,4,6,7,9-ヘプタクロロジベンゾ[b,e][1,4]ジオキシン1,2,3,4,6,7,9-ヘプタクロロジベンゾ[1,4]ジオキシン1,2,3,4,6,7,9-ヘプタクロロジベンゾ-p-ジオキシン1,2,3,4,6,7,9-ヘプタクロロ-ジベンゾ-p-ジオキシン1,2,3,4,6,8,9-ヘプタクロロジベンゾ-p-ジオキシン1,2,3,4,6,7,9-ヘプタクロロジベンゾ-P-ジオキシン標準液1,2,3,4,6,7,9ヘプタクロロジベンゾパラジオキシン1,2,3,4,6,7,9-ヘプタクロロジベンゾ-P-ダイオキシン (50ΜG/ML トルエン溶液)1,2,3,4,6,7,9-ヘプタクロロジベンゾ-P-ダイオキシン, 非標識 50ΜG/MLノナン溶液1,2,3,4,6,7,9-ヘプタクロロオキサントレン1,2,3,4,6,7,9-CDDHEPTACHLORODIBENZO-PARA-DIOXINS

物性

構造計算による物性

XLogP
7.5
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
21
形式電荷
0
複雑度
400

実験および物理化学的性質

SolubilityInsoluble (NTP, 1992)
Physical Description1,2,3,4,6,7,9-heptachlorodibenzo-p-dioxin is a white solid. Insoluble in water. (NTP, 1992)

物理化学的性質

融点
265 °C · 265°C (estimate)
沸点
506.1 °C · 506.1°C (rough estimate)
比重(密度)
1.886 · 1.8860 (estimate)
屈折率
1.671 · 1.6710 (estimate)
Henry's Law Constant
3.4 · 3.4×100 mol/(m3Pa) at 25℃, Wang and Wong (2002)
EPAの化学物質情報
1 · 1,2,3,4,6,7,9-Heptachlorodibenzo-p-dioxin (58200-70-7)

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。

危険有害性情報

DOT LabelPoison
Fire HazardsFlash point data for this chemical are not available. It is probably combustible. (NTP, 1992)
Health HazardsSYMPTOMS: Symptoms of exposure to this compound may include eye irritation, chloracne and liver damage.
Reactive GroupEthers
Reactivity Profile1,2,3,4,6,7,9-HEPTACHLORODIBENZO-P-DIOXIN may be sensitive to prolonged exposure to light. (NTP, 1992)
Air and Water ReactionsInsoluble in water.

安全と保護具

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 件

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 件

SMALL SPILLS AND LEAKAGE: If you spill this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then dampen the solid spill material with toluene, then transfer the dampened material to a suitable container. Use absorbent paper dampened with toluene to pick up any remaining material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent-wash all contaminated surfaces with toluene followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

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 · 1 件

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

一般的な説明White solid. Insoluble in water.

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化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
1,2,3,4,6,7,9-heptachloro-dibenzo-p-dioxi
1,2,3,4,6,8,9-Heptachlorodibenzo-p-dioxin
Dibenzo[b,e][1,4]dioxin, 1,2,3,4,6,7,9-heptachloro-
1,2,3,4,6,7,9-HEPTACHLORODIBENZO(1,4)DIOXINRefChem:712611,2,3,4,6,7,9-HCDD1,2,3,4,6,7,9-HEPTACHLORODIBENZO(B,E)(1,4)DIOXIN5-19-02-00042 (Beilstein Handbook Reference)1,2,3,4,6,7,9-HEPTACHLOROOXANTHRENESCHEMBL8858507DTXSID40973764

データベース識別子

CAS
58200-70-7
PubChem CID
42672
DTXSID
DTXSID40973764
UNII
D157DW362A
Nikkaji
J74.771H
Isolation and EvacuationExcerpt from ERG Guide 154 [Substances - Toxic and/or Corrosive (Non-Combustible)]:
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)
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves.

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 · 1 件

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)

Exposure RoutesOral (L177) ; inhalation(L177) ; dermal (L177)
Toxicity Summary · 1 件

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 SymptomsIn addition to chloracne, CDD exposure causes skin rashes, discoloration, and excessive body hair. (L177)
Carcinogen Classification3, not classifiable as to its carcinogenicity to humans. (L135)