基本情報
- 標準SMILES
Brc1ccc2oc3ccc(Br)cc3c2c1- InChIKey
UFCZRCPQBWIXTR-UHFFFAOYSA-N- 分子式
- C12H6Br2O
- 平均分子量
- 325.98 g/mol
- 単同位体質量
- 323.87853901
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
- 2,8-Dibromodibenzofuran
- IUPAC
- 2,8-dibromodibenzofuran
- 現地名
- 2,8-ジブロモジベンゾフラン
- 英語名
- 2,8-Dibromodibenzofuran
- 分子式
- C12H6Br2O
- 分子量
- 325.98
名称と別名
名称をさらに表示
データベース識別子
- CAS
10016-52-1- PubChem CID
- 82290
- DTXSID
DTXSID40142993- EC Number
- 634-508-4
- Nikkaji
- J1.556.129G
物性
構造計算による物性
- XLogP
- 5.8
- 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
- 15
- 形式電荷
- 0
- 複雑度
- 222
実験および物理化学的性質
物理化学的性質
- 融点
- 226 ℃ · 226℃
- 沸点
- 396 ℃ · 396℃
- 比重(密度)
- 1.886 · 1.886
- 闪点
- 193 ℃ · 193℃
- 貯蔵温度
- Sealed in dry,Room Temperature
- 外見
- powder to crystal
- 色
- White to Light yellow
- InChI
- InChI=1S/C12H6Br2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
- InChIKey
- UFCZRCPQBWIXTR-UHFFFAOYSA-N
- SMILES
- O1C2=CC=C(Br)C=C2C2=CC(Br)=CC=C12
安全と法規制
GHS分類
GHS Classification
Danger
H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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
毒性情報
Treatment
EYES: irrigate opened eyes for several minutes under running water. INGESTION: do not induce vomiting. Rinse mouth with water (never give anything by mouth to an unconscious person). Seek immediate medical advice. SKIN: should be treated immediately by rinsing the affected parts in cold running water for at least 15 minutes, followed by thorough washing with soap and water. If necessary, the person should shower and change contaminated clothing and shoes, and then must seek medical attention. INHALATION: supply fresh air. If required provide artificial respiration.
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)
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.
安全データ
- hs_code
- 2932.99.7000
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)
用途と製造
上流・下流製品情報
上流原料
サプライヤー50 社
関連反応
関連ノート
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