基本情報
- CAS
55684-94-1- 標準SMILES
Clc1cc2oc3c(Cl)c(Cl)c(Cl)c(Cl)c3c2cc1Cl- InChIKey
LVYBAQIVPKCOEE-UHFFFAOYSA-N- 分子式
- C12H2Cl6O
- 平均分子量
- 374.9 g/mol
- 単同位体質量
- 371.823681
概要
1,2,3,4,7,8-Hexachlorodibenzofuran is a polychlorinated dibenzofuran.
名称と識別子
- 優先名称
- 1,2,3,4,7,8-Hexachlorodibenzofuran
- IUPAC
- 1,2,3,4,7,8-hexachlorodibenzofuran
- 現地名
- 1,2,3,4,7,8-ヘキサクロロジベンゾフラン
- 英語名
- 1,2,3,4,7,8-hexachlorodibenzofuran
- 分子式
- C12H2Cl6O
- 分子量
- 374.86
名称と別名
1,2,3,4,7,8-HEXACHLORODIBENZOFURAN70648-26-9HCDFDibenzofuran, 1,2,3,4,7,8-hexachloro-1,2,3,4,7,8-HxCDFBP4Q20NZGYDTXSID6029915Hexachlorobenzofuran, 1,2,3,4,7,8-PCDF 118RefChem:71277DTXCID0099153,4,5,6,11,12-hexachloro-8-oxatricyclo(7.4.0.02,7)trideca-1(13),2,4,6,9,11-hexaene
名称をさらに表示
1,2,3,4,7,8-ヘキサクロロジベンゾフラン1,2,3,4,7,8-ヘキサクロロジベンゾフラン標準液1,2,3,4,7,8-H6CDF【法規制ダイオキシン類：ジベンゾフラン】１，２，３，４，７，８ヘキサクロロジベンゾフラン1,2,3,4,7,8-六塩化ジベンゾフラン1,2,3,4,7,8-ヘキサクロロジベンゾフラン標準品, 結晶1,2,3,4,7,8-ヘキサクロロジベンゾフラン, 非標識3,4,5,6,11,12-ヘキサクロロ-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1,2,3,4,7,8-HCDF1,2,3,4,7,8-HEXACDF123478HEXACHLORODIBENZO-PARA-FURANHexachlorodibenzofuran, 1,2,3,4,7,8-1,2,3,4,7,8-HEXACHLORODIPHENYLENEOXIDE1,2,3,4,7,8-Hexachlorodibenzofuran (>90%)1,2,3,4,7,8-Hexachlorodibenzofuran 50 μg/mL in Nonane
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
- 19
- 形式電荷
- 0
- 複雑度
- 355
実験および物理化学的性質
PolymersOther Classes -> Halogenated Polyaromatics
SpringerMaterials PropertiesBoiling point
LogP6.6
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section165.3 Ų [M]+ [CCS Type: TIMS, Method: calibration with PAHs]
物理化学的性質
- 融点
- 226 °C · 226°C
- 沸点
- 510.41 °C · 510.41°C (rough estimate)
- 比重(密度)
- 1.72 · 1.7200 (estimate)
- 屈折率
- 1.718 · 1.7180 (rough estimate)
- 溶解性
- Chloroform (Very Slightly, Heated), Ethanol (Slightly)
- 外見
- Solid
- 色
- White to Pale Yellow
- 水溶解度
- 0.008247 ug/L · 0.008247ug/L(22.5℃)
- Henry's Law Constant
- 6.9 · 6.9×10-1 mol/(m3Pa) at 25℃, Mackay et al. (2006)
- EPAの化学物質情報
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]
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 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
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)
Hazards Summary
Teratogenicity observed in mice at doses not maternally toxic; [Shepard's Catalog of Teratogenic Agents] Causes other liver changes in acute intraperitoneal studies of mice and rats; Causes changes in liver weight, other liver changes, and effects on hepatic microsomal mixed oxidase in 4-day intermittent oral studies of mice; [RTECS] See CHLORINATED DIBENZOFURANS.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
安全と保護具
Protective Action Criteria (PAC)
0.0013 [mg/m3]
0.014 [mg/m3]
0.085 [mg/m3]
毒性情報
Health Effects
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)
応用分野
使用1,2,3,4,7,8-hexachlorodibenzofuran, is a toxic polychlorinated dibenzofurans (PCDD/F), detected in domestic meat and poultry. It can be used as purified standards for analytical, toxic, and biological studies of these environmental contaminants.
関連反応
0 件
現在のフィルター条件では反応記録がありません。
化合物ノート
読み込み中…