基本情報
- CAS
51230-49-0- 標準SMILES
Clc1ccc2oc3ccccc3c2c1- InChIKey
PRKTYWJFCODJOA-UHFFFAOYSA-N- 分子式
- C12H7ClO
- 平均分子量
- 202.63 g/mol
- 単同位体質量
- 202.0185425
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
- 2-Chlorodibenzofuran
- IUPAC
- 2-chlorodibenzofuran
- 現地名
- 2-クロロジベンゾフラン
- 英語名
- 2-Chlorodibenzofuran
- 分子式
- C12H7ClO
- 分子量
- 202.64
名称と別名
2-CHLORODIBENZOFURAN51230-49-02-Monochlorodibenzofuran2-Chloro-dibenzofuranMGI055773BDTXSID70891563RefChem:86474DTXCID5010306674-chloro-8-oxatricyclo(7.4.0.02,7)trideca-1(13),2,4,6,9,11-hexaene622-196-22-chlorodibenzo[b,d]furanDibenzofuran, 2-chloro
名称をさらに表示
2-クロロジベンゾフラン2-モノクロロジベンゾフラン標準液4-クロロ-8-オキサトリシクロ[7.4.0.02,7]トリデカ-1(9),2(7),3,5,10,12-ヘキサエン2-CDF2-mcdf2-chloro-dibenzofuramonochlorodibenzofuran2-Chlorodibenzofuran@50 μg/mL in Isooctane2-CHLORODIBENZOFURAN (50 UG/ML IN ISOOCTANE)
CHEMBL344922CCRIS 1438Dibenzofuran, 2-chloro-BRN 0142198UNII-MGI055773BPCDF 2SCHEMBL1927485SCHEMBL2281402
データベース識別子
- CAS
51230-49-0- PubChem CID
- 32781
- DTXSID
物性
構造計算による物性
- XLogP
- 5
- 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
- 14
- 形式電荷
- 0
- 複雑度
- 218
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
物理化学的性質
- 融点
- 100 ℃ · 100℃
- 沸点
- 310.96 °C · 310.96°C (rough estimate)
- 比重(密度)
- 1.26 · 1.2600 (estimate)
- 屈折率
- 1.71 · 1.7100 (rough estimate)
- Henry's Law Constant
- 1.1 · 1.1×10-1 mol/(m3Pa) at 25℃, Govers and Krop (1998)
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, 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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
毒性情報
Health Effects
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)
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 Routes
Inhalation (L952) ; dermal (L952) ; oral (L952)
Inhalation (L952) ; dermal (L952) ; oral (L952)
Toxicity Summary
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.
化学と産業
薬理情報
Metabolism/Metabolites
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)
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
Uses
CDFs 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)
CDFs 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)
応用分野
使用2-Chlorodibenzofuran is a standard used in environmental testing and research such as the formation ofdibenzofurans/dibenzodioxins from waste incinerators and flyash.
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