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6-Methyl-1,3,8-trichlorodibenzofuran

HCID 114900
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
118174-38-2
標準SMILES
Cc1cc(Cl)cc2c1oc1cc(Cl)cc(Cl)c12
InChIKey
RPMARRQIRRJWEZ-UHFFFAOYSA-N
分子式
C13H7Cl3O
平均分子量
285.5 g/mol
単同位体質量
283.95624788

概要

Chlorinated dibenzofurans (CDFs) are a family of chemical that contain one to eight chlorine atoms attached to the carbon atoms of the parent chemical, dibenzofuran. The CDF family contains 135 individual compounds (known as congeners) with varying harmful health and environmental effects. Of these 135 compounds, those that contain chlorine atoms at the 2,3,7,8-positions of the parent dibenzofuran molecule are especially harmful. Other than for laboratory use of small amounts of CDFs for research and development purposes, these chemicals are not deliberately produced by industry. Most CDFs are produced in very small amounts as unwanted impurities of certain products and processes utilizing chlorinated compounds. Only a few of the 135 CDF compounds have been produced in large enough quantities so that their properties, such as color, smell, taste, and toxicity could be studied. (L952)

名称と識別子

優先名称
6-Methyl-1,3,8-trichlorodibenzofuran
IUPAC
1,3,8-trichloro-6-methyldibenzofuran

名称と別名

6-Methyl-1,3,8-trichlorodibenzofuranMCDF6-MCDF118174-38-21FU4HF6ELFRefChem:1049753,5,12-trichloro-10-methyl-8-oxatricyclo(7.4.0.02,7)trideca-1(13),2,4,6,9,11-hexaeneAhR modulator-1115039-00-41,3,8-trichloro-6-methyldibenzofuran1,3,8-Trichloro-6-methyldibenzo[b,d]furanCHEMBL4580482
名称をさらに表示
Dibenzofuran, 6-methyl-1,3,8-trichloro-DTXSID50921594RPMARRQIRRJWEZ-UHFFFAOYSA-NAhR modulator-1?UNII-1FU4HF6ELForb1710467SCHEMBL1804174BDBM50506038

データベース識別子

CAS
118174-38-2
PubChem CID
114900
DTXSID
DTXSID50921594
ChEMBL
CHEMBL4580482
UNII
1FU4HF6ELF
Nikkaji
J385.599F

物性

構造計算による物性

XLogP
6.1
極性表面積
13.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
0
重原子数
17
形式電荷
0
複雑度
298

実験および物理化学的性質

Endocrine DisruptorsPotential endocrine disrupting compound

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。

毒性情報

Health Effects · 1 件

CDFs cause vomiting and diarrhea, anemia, more frequent lung infections, numbness and other effects on the nervous system, and mild changes in the liver. However, there were no permanent liver changes or definite liver damage found in people who ingested CDFs. (L952)

Exposure RoutesInhalation (L952) ; dermal (L952) ; oral (L952)
Toxicity Summary · 1 件

Halogenated dibenzofurans (PCDFs and PBDFs) bind the aryl hydrocarbon receptor (AhR), which increases its ability to activate transcription in the XRE (xenobiotic resoponse element) promoter region. Specifically AhR binds to the PCDF, translocates it to the nucleus and together with hydrocarbon nuclear translocator (ARNT) and xenobiotic responsive element (XRE) increases the expression of CYP1A1 and aryl hydrocarbon hydroxylase (CYP1B1). AhR signaling also increseases conversion of arachidonic acid to prostanoids via cyclooxygenase-2, alters Wnt/beta-catenin signaling downregulating Sox9 and alters signaling by receptors for inflammatory cytokines. AhR signalling also alters proteasomal degradation of steroid hormone receptors, alters cellular UVB stress response and changes the differentiation of certain T-cell subsets. The resulting AhR mediated activation and alteration leads to body weight loss, cancer and thymic atrophy (characteristic of immune and endocrine disruption) which are common toxic responses to PCDFs and related toxic halogenated aryl hydrocarbons.

Signs and SymptomsSkin and eye irritations, especially severe acne, darkened skin color, and swollen eyelids with discharge are the most obvious health effects of the CDF poisoning. (L952)
Carcinogen ClassificationNo indication of carcinogenicity (not listed by IARC). (L135)

化学と産業

薬理情報

Metabolism/Metabolites · 1 件

No information on the metabolism of dibenzofuran in mammalian organisms was found in the available literature. The bacteria Sphingomonas, Brevibacterium, Terrabacter, and Staphylococcus auricularis degrade dibenzofuran to 2,2',3-trihydroxybiphenyl via dibenzofuran 4,4a-dioxygenase. (L952)

用途と製造

UsesCDFs are created from production of coal tar and during incineration. They are used as insecticides, in the production of PVC, and in industrial bleaching. (L952)

関連反応

1 件
反応記録を作成
HRID 439746 の反応式
HRID 439746生成物としてuspto-grants-1996_05

化合物ノート

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