基本情報
- CAS
57117-41-6- 標準SMILES
Clc1cc2oc3cc(Cl)c(Cl)c(Cl)c3c2cc1Cl- InChIKey
SBMIVUVRFPGOEB-UHFFFAOYSA-N- 分子式
- C12H3Cl5O
- 平均分子量
- 340.4 g/mol
- 単同位体質量
- 337.862653
概要
1,2,3,7,8-Pentachlorodibenzofuran is a polychlorinated dibenzofuran.
名称と識別子
- 優先名称
- 1,2,3,7,8-Pentachlorodibenzofuran
- IUPAC
- 1,2,3,7,8-pentachlorodibenzofuran
- 英語名
- 1,2,3,7,8-Pentachlorodibenzofuran
- 分子式
- C12H3Cl5O
- 分子量
- 340.42
名称と別名
1,2,3,7,8-PENTACHLORODIBENZOFURAN57117-41-61,2,3,7,8-PeCDFDibenzofuran, 1,2,3,7,8-pentachloro-PCDF 94QNE7ZLB7SSDTXSID70522341,2,3,7,8-PCDBFRefChem:71373DTXCID20308053,4,5,11,12-pentachloro-8-oxatricyclo(7.4.0.02,7)trideca-1(13),2,4,6,9,11-hexaene694-762-7
名称をさらに表示
1,2,3,7,8-Pentachlorodibenzo[b,d]furanCHEMBL137304UNII-QNE7ZLB7SSSBMIVUVRFPGOEB-UHFFFAOYSA-NPentachlorodibenzofuran, 1,2,3,7,8-C12H3Cl5OSCHEMBL2279726SCHEMBL32668927
データベース識別子
- CAS
57117-41-6- PubChem CID
- 42138
- DTXSID
DTXSID7052234- ChEMBL
CHEMBL137304- ChEBI
CHEBI:81507- UNII
- QNE7ZLB7SS
- EC Number
- 694-762-7
- Nikkaji
- J364.336K
物性
構造計算による物性
- XLogP
- 6.9
- 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
- 18
- 形式電荷
- 0
- 複雑度
- 328
実験および物理化学的性質
SpringerMaterials PropertiesBoiling point
LogP6.7
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section159.5 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
物理化学的性質
- 沸点
- 450.6 · 450.6±40.0 °C(Predicted)
- 比重(密度)
- 1.7 · 1.700±0.06 g/cm3(Predicted)
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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P316, P304+P340, P305+P351+P338, P318, P319, P321, P330, P337+P317, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 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
Regulatory Information
Hazard Traits - Bioaccumulation; Carcinogenicity; Dermatotoxicity; Developmental Toxicity; Endocrine Toxicity; Environmental Persistence; Environmental tox; Hematotoxicity; Hepatotoxicity and Digestive System Toxicity; Reproductive Toxicity
Regulation (EC) No 178/2002 (amended)
Hazard Classes and CategoriesAcute Tox. 3 (100%)
安全と保護具
Protective Action Criteria (PAC)
0.0043 [mg/m3]
0.047 [mg/m3]
0.28 [mg/m3]
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)
Exposure RoutesInhalation (L952) ; dermal (L952) ; oral (L952)
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
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)
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