Ammonium 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) phosphate
基本情報
- CAS
93776-28-4- 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.[NH4+]- InChIKey
FXCLFLOUGBGIGW-UHFFFAOYSA-N- 分子式
- C38H12F70NO4P
- 平均分子量
- 1,907.4 g/mol
- 単同位体質量
- 1,906.9386162
名称と識別子
- 優先名称
- Ammonium 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) phosphate
- IUPAC
- azanium 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] phosphate
名称と別名
93776-28-4EINECS 297-956-6Ammonium 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) phosphateAmmonium Bis[15-(Trifluoromethyl)PerfluoroHexadecylEthyl]PhosphateAmmonium Bis((perfluoro-15-methylhexadecyl)ethyl) phosphateAMMONIUM 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] PHOSPHATEDTXSID20881055NS00093452
データベース識別子
- CAS
93776-28-4- PubChem CID
- 3022268
- DTXSID
DTXSID20881055- EC Number
- 297-956-6
物性
構造計算による物性
- 極性表面積
- 59.6 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
- 114
- 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 -> 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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