3,6,9,12,15,18,21,24,27-Nonaoxatriacontane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-pentatriacontafluoro-5,8,11,14,17,20,23,26-octakis(trifluoromethyl)-
基本情報
- CAS
58979-41-2- 標準SMILES
FC(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F- InChIKey
NVGFEPAMFSXOAC-UHFFFAOYSA-N- 分子式
- C29HF59O9
- 平均分子量
- 1,614.2 g/mol
- 単同位体質量
- 1,613.8678432
名称と識別子
- 優先名称
- 3,6,9,12,15,18,21,24,27-Nonaoxatriacontane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-pentatriacontafluoro-5,8,11,14,17,20,23,26-octakis(trifluoromethyl)-
- IUPAC
- 1,1,1,2,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]-3-(1,2,2,2-tetrafluoroethoxy)propane
名称と別名
3,6,9,12,15,18,21,24,27-Nonaoxatriacontane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-pentatriacontafluoro-5,8,11,14,17,20,23,26-octakis(trifluoromethyl)-RefChem:48713958979-41-2Pentatriacontafluorooctakis(trifluoromethyl)nonaoxatriacontane1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-Pentatriacontafluoro-5,8,11,14,17,20,23,26-octakis(trifluoromethyl)-3,6,9,12,15,18,21,24,27-nonaoxatriacontaneDTXSID20896609NVGFEPAMFSXOAC-UHFFFAOYSA-NNS001097832H-Perfluoroa-a5,a8,a11,a14,a17,a20,a23,a26-aoctametahyla-3,a6,a9,a12,a15,a18,a21,a24,a27-anonaoxatriacontane
データベース識別子
- CAS
58979-41-2- PubChem CID
- 6453736
- DTXSID
DTXSID20896609- Nikkaji
- J429.382G
物性
構造計算による物性
- XLogP
- 20.7
- 極性表面積
- 83.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 68
- 回転可能結合数
- 27
- 重原子数
- 97
- 形式電荷
- 0
- 複雑度
- 2,690
実験および物理化学的性質
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
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。
危険有害性情報
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
化学と産業
用途と製造
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information3,6,9,12,15,18,21,24,27-Nonaoxatriacontane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-pentatriacontafluoro-5,8,11,14,17,20,23,26-octakis(trifluoromethyl)-: INACTIVE
関連反応
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化合物ノート
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