基本情報
- CAS
67584-59-2- 標準SMILES
C=C(C)C(=O)OCCN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
BEIWUHUHJDEMQO-UHFFFAOYSA-N- 分子式
- C4F9SO2N(CH3)CH2CH2OC(O)C(CH3)=CH2
- 平均分子量
- 425.27 g/mol
- 単同位体質量
- 425.0343325
名称と識別子
- 優先名称
- 2-(Methyl((nonafluorobutyl)sulphonyl)amino)ethyl methacrylate
- IUPAC
- 2-[methyl(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]ethyl 2-methylprop-2-enoate
- 現地名
- メタクリル酸2-[メチル(ノナフルオロブチルスルホニル)アミノ]エチル
- 英語名
- 2-[methyl[(nonafluorobutyl)sulphonyl]amino]ethyl methacrylate
- 分子式
- C11H12F9NO4S
- 分子量
- 425.27
名称と別名
67584-59-28NNQ1E7LXC2-(Methyl((nonafluorobutyl)sulphonyl)amino)ethyl methacrylateEINECS 266-737-72-Propenoic acid, 2-methyl-, 2-(methyl((nonafluorobutyl)sulfonyl)amino)ethyl ester2-Propenoic acid, 2-methyl-, 2-(methyl((1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl)amino)ethyl ester2-Methyl, 2-propenoic acid, 2-(((nonafluorobutyl)sulfonyl)methylamino)ethyl ester(N-METHYL-PERFLUOROBUTANE-1-SULFONAMIDE)ETHYL METHACRYLATE2-[METHYL[(NONAFLUOROBUTYL)SULPHONYL]AMINO]ETHYL METHACRYLATE2-Propenoic acid, 2-methyl-, 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester2-Propenoic acid, 2-methyl-, 2-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]ethyl esterRefChem:461251
名称をさらに表示
メタクリル酸2-[メチル(ノナフルオロブチルスルホニル)アミノ]エチル2-メチルプロペン酸2-[メチル[(ノナフルオロブチル)スルホニル]アミノ]エチルMethacrylic acid 2-[methyl(nonafluorobutylsulfonyl)amino]ethyl ester2-Methylpropenoic acid 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester
266-737-72-(n-methylperfluorobutanesulfonamido)ethyl methacrylateUNII-8NNQ1E7LXCSCHEMBL393824DTXSID60705102-((1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutyl)sulfonamido)ethyl methacrylateNS000112262-(1,1,2,2,3,3,4,4,4-Nonafluoro-N-methylbutane-1-sulfonamido)ethyl 2-methylprop-2-enoate
データベース識別子
- CAS
67584-59-2- PubChem CID
- 105452
- DTXSID
DTXSID6070510- UNII
- 8NNQ1E7LXC
- EC Number
- 266-737-7
- Nikkaji
- J310.277G
物性
構造計算による物性
- XLogP
- 3.6
- 極性表面積
- 72.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 14
- 回転可能結合数
- 9
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 652
実験および物理化学的性質
PFAS
PFAS -> Other/unspecified
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 317.2 · 317.2±52.0 °C(Predicted)
- 比重(密度)
- 1.486 · 1.486±0.06 g/cm3(Predicted)
- 蒸気圧
- 0.5 · 0.5-0.89Pa at 20-25℃
- 外見
- Solid
- 酸解離定数(Pka)
- -9.92 · -9.92±0.70(Predicted)
- Henry's Law Constant
- 3.3 · 3.3×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- LogP
- 4.89 at · 4.89 at 22℃
- EPAの化学物質情報
- 2 · 2-Propenoic acid, 2-methyl-, 2-[methyl[(nonafluorobutyl)sulfonyl]amino]ethyl ester (67584-59-2)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
2-Propenoic acid, 2-methyl-, 2-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Propenoic acid, 2-methyl-, 2-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: 2-[methyl[(nonafluorobutyl)sulphonyl]amino]ethyl methacrylate (EC: 266-737-7)
Hazard Classes and CategoriesSkin Sens. 1B (100%)
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesMonomers
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
2-Propenoic acid, 2-methyl-, 2-[methyl[(1,1,2,2,3,3,4,4,4-nonafluorobutyl)sulfonyl]amino]ethyl ester: ACTIVE
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