基本情報
- CAS
335-57-9- 標準SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
LGUZHRODIJCVOC-UHFFFAOYSA-N- 分子式
- C7F16
- 平均分子量
- 388.05 g/mol
- 単同位体質量
- 387.9744506
概要
Perfluoroheptane is a fluorocarbon. It derives from a hydride of a heptane.
名称と識別子
- 優先名称
- Perfluoroheptane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane
- 現地名
- ペルフルオロヘプタン (異性体混合物)
- 英語名
- Hexadecafluoroheptane
- 分子式
- C7F16
- 分子量
- 388.05
名称と別名
PERFLUOROHEPTANEHexadecafluoroheptane335-57-9Perfluoro-n-heptaneHeptane, hexadecafluoro-FIFLOW 78I23ZVD1P1LFLUORINERT PF 5070NSC-79256Heptane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoro-DTXSID8052019CHEBI:38847
名称をさらに表示
ペルフルオロヘプタン (異性体混合物)ペルフルオロヘプタンヘキサデカフルオロヘプタンペルフルオロ-n-ヘプタンペルフルオロｎヘプタンヘキサデカフルオロヘプタン (異性体混合物)パーフルオロヘプタン (異性体混合物)パーフルオロヘプタン類, 異性体混合パーフルオロヘプタン類, 異性体混合, 98%PerfluorocarbonPF5070HexadecafLuoroheptanePerflutel(R)RM82PerfluoroheptaueFluorinertPF5070n-perfluoroheptanePERFLUOROHEPTANE(S)
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoro-RefChem:171657DTXCID5030583206-392-11,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-HexadecafluoroheptaneperfluoroheptanesMFCD00040339Hexadecafluoroheptane (mixture of isomers)
物性
構造計算による物性
- XLogP
- 5.8
- 極性表面積
- 0 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 16
- 回転可能結合数
- 4
- 重原子数
- 23
- 形式電荷
- 0
- 複雑度
- 394
実験および物理化学的性質
Chemical ClassesOther Classes -> Halogenated Aliphatics, Saturated
PFAS
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
SpringerMaterials PropertiesGibbs energy
Vapor Pressure76.4 [mmHg]
Physical DescriptionColorless liquid; [MSDSonline]
物理化学的性質
- 融点
- -51.2 °C · -51.2°C
- 沸点
- 82 · 82-84 °C(lit.)
- 比重(密度)
- 1.745 g/mL · 1.745 g/mL at 25 °C(lit.)
- 屈折率
- 20 · n20/D 1.3(lit.)
- 闪点
- 80 · 80-82°C
- 貯蔵温度
- Refrigerator, under inert atmosphere
- 溶解性
- クロロホルム、メタノール（少量）
- 外見
- 液体
- 比重
- 1.72 · 1.72
- 色
- 無色
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory InformationChemical: Heptane, hexadecafluoro-
Hazards SummaryMay cause irritation; [MSDSonline] See Perfluorobutane and Perfluorohexane. See Perfluoro compounds, C5-18.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
毒性情報
Toxicity DataLC50 (mice) = 215,000 mg/m3
安全データ
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- MJ0875000
- 毒性
- LDLo ipr-mus: 4 g/kg CBCCT* 4,108,52
- hs_code
- 29033990
- risk_code
- 36/37/38
- 化審法
- (2)-2366 監視化学物質
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
化学と産業
用途と製造
Usesnon-polymer PFAS -> Tracing and tagging -> Tracing and tagging applications
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationHeptane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoro-: ACTIVE
応用分野
使用Hexadecafluoroheptane may be employed in solution-phase studies of perfluoropolyalkylene oligomers and in the preparation of fluorinated gel emulsions.
一般的な説明Hexadecafluoroheptane is a common liquid perfluoro-n-alkane. It is reported as fluorinated solvent. Encapsulation of hexadecafluoroheptane (Perfluoroheptane) by a microencapsulation method based on a Pickering emulsion templated interfacial atom transfer radical polymerization (PETI-ATRP) has been reported. Aggregation of diblock semifluorinated in perfluoroheptane (fluorinated solvent) has been reported. Physical properties and commercial/industrial uses of hexadecafluoroheptane has been reported.
調製方法
純化方法Purify it as for perfluorodimethylhexane. Other procedures include shaking with H2SO4, washing with water, drying with P2O5 for 48hours and fractionally distilling. Alternatively, it has been refluxed for 24hours with saturated acid KMnO4 (to oxidise and remove hydrocarbons), then neutralised, steam distilled, dried with P2O5, and passed slowly through a column of dry silica gel. It has been purified by fractional crystallisation using partial freezing. [Beilstein 1 IV 388.]
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