Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl) hydrogen phosphate
基本情報
- CAS
93776-19-3- 標準SMILES
O=P(O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
QHIGFJQLSNDTTI-UHFFFAOYSA-N- 分子式
- C38H9F70O4P
- 平均分子量
- 1,890.3 g/mol
- 単同位体質量
- 1,889.9120671
名称と識別子
- 優先名称
- Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl) hydrogen phosphate
- IUPAC
- bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] hydrogen phosphate
名称と別名
EINECS 297-946-193776-19-3Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl) hydrogen phosphateBis((perfluoro-15-methylhexadecyl)ethyl) hydrogen phosphatebis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,18,18,18-dotriacontafluoro-17-(trifluoromethyl)octadecyl] hydrogen phosphateDTXSID60881054NS00011044
データベース識別子
- CAS
93776-19-3- PubChem CID
- 3022269
- DTXSID
DTXSID60881054- EC Number
- 297-946-1
- Nikkaji
- J348.632J
物性
構造計算による物性
- XLogP
- 23.4
- 極性表面積
- 55.8 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 74
- 回転可能結合数
- 36
- 重原子数
- 113
- 形式電荷
- 0
- 複雑度
- 3,150
実験および物理化学的性質
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
化学と産業
用途と製造
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
関連反応
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化合物ノート
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