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1,2,3,4-テトラクロロジベンゾ[1,4]ジオキシン

1,2,3,4-Tetrachlorodibenzo-P-dioxin

HCID 35454
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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
30746-58-8
標準SMILES
Clc1c(Cl)c(Cl)c2c(c1Cl)Oc1ccccc1O2
InChIKey
DJHHDLMTUOLVHY-UHFFFAOYSA-N
分子式
C12H4Cl4O2
平均分子量
322 g/mol
単同位体質量
319.89654

概要

1,2,3,4-tetrachlorodibenzo-p-dioxin appears as colorless needles or white powder. (NTP, 1992)

名称と識別子

優先名称
1,2,3,4-Tetrachlorodibenzo-P-dioxin
IUPAC
1,2,3,4-tetrachlorodibenzo-p-dioxin
現地名
1,2,3,4-テトラクロロジベンゾ[1,4]ジオキシン
英語名
1,2,3,4-Tetrachlorodibenzo-p-dioxin
分子式
C12H4Cl4O2
分子量
321.97

名称と別名

1,2,3,4-TETRACHLORODIBENZO-P-DIOXIN30746-58-81,2,3,4-Tetrachlorodibenzodioxin1,2,3,4-Tetrachlorooxanthrene1,2,3,4-TCDD1,2,3,4-Tetrachlorodibenzo-para-dioxinDibenzo-p-dioxin, 1,2,3,4-tetrachloro-HF5S8P28CCDibenzo(b,e)(1,4)dioxin, 1,2,3,4-tetrachloro-DTXSID70740301,2,3,4-tetrachlorodibenzodioxineCHEBI:27785
名称をさらに表示
1,2,3,4-テトラクロロジベンゾジオキシン1,2,3,4-テトラクロロジベンゾ-p-ジオキシン1,2,3,4-テトラクロロジベンゾ[b,e][1,4]ジオキシン1,2,3,4-テトラクロロジベンゾ[1,4]ジオキシン1,2,3,4-テトラクロロジベンゾ-P-ジオキシン標準液1,2,3,4-四塩化ジベンゾパラジオキシン1,2,3,4-テトラクロロジベンゾ-P-ダイオキシン1,2,3,4-テトラクロロジベンゾ-P-ダイオキシン 50ΜG/MLノナン溶液1,2,3,4-テトラクロロオキサントレン1,2,3,4-T4CDD1,2,3,4-tetrachloro-dibenzo-p-dioxi1,2,3,4-TETRACHLORODIBENZO-PARA-DIOXINS1,2,3,4-tetrachloro-dibenzo[1,4]dioxine
Dibenzo[b,e][1,4]dioxin, 1,2,3,4-tetrachloro-1,2,3,4-tetrachlorodibenzo[b,e][1,4]dioxin1,2,3,4-tetrachlorodibenzo(b,e)(1,4)dioxinRefChem:71290DTXCID5038252690-153-5CHEMBL343583UNII-HF5S8P28CC

物性

構造計算による物性

XLogP
7.2
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
18
形式電荷
0
複雑度
286

実験および物理化学的性質

SpringerMaterials PropertiesBoiling point
LogP6.2
Melting Point363 to 367 °F (NTP, 1992)
Physical Description1,2,3,4-tetrachlorodibenzo-p-dioxin appears as colorless needles or white powder. (NTP, 1992)

物理化学的性質

融点
189 °C · 189°C
沸点
407.62 °C · 407.62°C (rough estimate)
比重(密度)
1.643 · 1.6430 (estimate)
屈折率
1.643 · 1.6430 (estimate)
水溶解度
0.55 ug/L · 0.55ug/L(25℃)
Henry's Law Constant
5 · 5.0×10-1 mol/(m3Pa) at 25℃, Santl et al. (1994)
EPAの化学物質情報
1 · 1,2,3,4-Tetrachlorodibenzo-p-dioxin (30746-58-8)

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 · 5 件

This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.

Warning

H400 (92.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

P273, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

DOT LabelPoison
Fire HazardsFlash point data for this compound are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1 件

SYMPTOMS: Ingestion, inhalation and skin contact to this class of compounds has caused chloracne which is characterized by comedones, keratin cysts, pustules, papules and abscesses. This may clear in a few months or persist for up to 15 years. Symptoms may occur weeks or months after initial exposure. Exposure to a related compound has caused endocrine, immunologic, hematologic, gastrointestinal and neuropsychiatric effects. Other symptoms include a burning sensation in the eyes, nose and throat; headache, dizziness, nausea, vomiting, arthralgias, extreme fatigue, insomnia, loss of libido, irritability, nervousness, high levels of cholesterol, hyperlipoproteinaemia, porphyria cutanea tarda, hepatic dysfunction, hyperpigmentation, hirsuitism, disorders of the cardiovascular, urinary, respiratory and pancreatic systems; disorders of fat and carbohydrate metabolism, emotional disorders, difficulties with muscular and mental coordination, blurred vision and loss of taste and smell. Itching, swelling and redness of the face may occur just prior to the appearance of chloracne. Other symptoms include muscular weakness, loss of appetite and weight, sleep disturbances, orthostatic hypotension, abdominal pain and liver impairment. It may also cause liver and kidney damage and personality changes.

Reactive Group

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

使用1,2,3,4-Tetrachlorodibenzo-p-dioxin is a standard for environmental testing and research such as in the impact of polychlorinated dibenzo-p-dioxins in the environment as pollutants such as from waste incineration plant emissions.

一般的な説明Colorless needles or white powder.

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化合物ノート

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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

データベース識別子

CAS
30746-58-8
PubChem CID
35454
DTXSID
DTXSID7074030
ChEMBL
CHEMBL343583
ChEBI
CHEBI:27785
UNII
HF5S8P28CC
EC Number
690-153-5
Nikkaji
J74.777G
Ethers
Reactivity ProfileThis type of compound is extremely stable, even on heating to 1292 °F. Solutions of this type of chemical in methanol are degraded by exposure to summer sunlight or irradiation with an ultraviolet lamp (300 nm). (NTP, 1992).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAquatic Acute 1 (92.9%)

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.

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 trascription 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)

安全データ

ridadr
2811
hazard_class
6.1(a)
packing_group
I
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