基本情報
- CAS
813-45-6- 標準SMILES
O=C(C(F)(F)C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
SIVXJSMXRSOFRR-UHFFFAOYSA-N- 分子式
- C7F14O
- 平均分子量
- 366.05 g/mol
- 単同位体質量
- 365.9725589
名称と識別子
- 優先名称
- 1,1,1,2,4,4,5,5,6,6,6-Undecafluoro-2-(trifluoromethyl)-3-hexanone
- IUPAC
- 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hexan-3-one
名称と別名
813-45-61,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-3-hexanoneDTXSID00880147RefChem:212785DTXCID7010217391,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)hexan-3-one3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-SCHEMBL942872Perfluoro-2-methylhexan-3-oneNS000192541,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-trifluoromethylhexan-3-one
データベース識別子
- CAS
813-45-6- PubChem CID
- 11143068
- DTXSID
DTXSID00880147- EC Number
- 858-074-2
- Nikkaji
- J953.677I
物性
構造計算による物性
- XLogP
- 4.9
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 15
- 回転可能結合数
- 3
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 422
安全と法規制
GHS分類
GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Hazard Classes and CategoriesNot Classified
法規制情報
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
化学と産業
用途と製造
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information3-Hexanone, 1,1,1,2,4,4,5,5,6,6,6-undecafluoro-2-(trifluoromethyl)-: ACTIVE
関連反応
5 件
化合物ノート
読み込み中…