基本情報
- CAS
16090-14-5- 標準SMILES
O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F- InChIKey
KTCQQCLZUOZFEI-UHFFFAOYSA-N- 分子式
- C7F14O4S
- 平均分子量
- 446.12 g/mol
- 単同位体質量
- 445.9293739
名称と識別子
- 優先名称
- Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride
- IUPAC
- 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride
- 現地名
- 1,1,2,2-テトラフルオロ-2-[1,2,2-トリフルオロ-1-(トリフルオロメチル)-2-(1,2,2-トリフルオロエテニルオキシ)エトキシ]-1-エタンスルホン酸フルオリド
- 英語名
- Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride
- 分子式
- C7F14O4S
- 分子量
- 446.12
名称と別名
Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluorideEthanesulfonyl fluoride, 2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-DTXSID3044596M51955B972Ethanesulfonyl fluoride, 2-(1-(difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-1,1,2,2-tetrafluoro-1,1,2,2-Tetrafluoro-2-(1,2,2-trifluoro-1-(trifluoromethyl)-2-((trifluorovinyl)oxy)ethoxy)ethanesulphonyl fluoridePERFLUORO-3,6-DIOXA-4-METHYL-7-OCTENESULFONYL FLUORIDEPERFLUORO-3,6-DIOXA-4-METHYL-.DELTA.7-OCTYLSULFONYL FLUORIDE1,1,2,2-tetrafluoro-2-[1,2,2-trifluoro-1-(trifluoromethyl)-2-[(trifluorovinyl)oxy]ethoxy]ethanesulphonyl fluorideETHANESULFONYL FLUORIDE, 1,1,2,2-TETRAFLUORO-2-(1,2,2-TRIFLUORO-1-(TRIFLUOROMETHYL)-2-((TRIFLUOROVINYL)OXY)ETHOXY)-RefChem:860205DTXCID1024596
名称をさらに表示
2-[1,2,2-トリフルオロ-1-(トリフルオロメチル)-2-[(トリフルオロビニル)オキシ]エトキシ]-1,1,2,2-テトラフルオロエタンスルホニルフルオリド1,1,2-トリフルオロ-2-[1,1,2,3,3,3-ヘキサフルオロ-2-[1,1,2,2-テトラフルオロ-2-(フルオロスルホニル)エトキシ]プロポキシ]エテン
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 61 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 18
- 回転可能結合数
- 7
- 重原子数
- 26
- 形式電荷
- 0
- 複雑度
- 656
実験および物理化学的性質
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 135 °C · 135°C
- 比重(密度)
- 1 · 1,7 g/cm3
- 貯蔵温度
- Refrigerator, under inert atmosphere
- 溶解性
- クロロホルム（微量）、メタノール（微量）
- 外見
- 油
- 色
- 無色
- InChI
- InChI=1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23
- InChIKey
- KTCQQCLZUOZFEI-UHFFFAOYSA-N
- SMILES
- C(S(F)(=O)=O)(F)(F)C(OC(C(F)(F)O/C(/F)=C(/F)\F)(F)C(F)(F)F)(F)F
- EPAの化学物質情報
- 2 · Ethanesulfonyl fluoride, 2-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro- (16090-14-5)
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
This chemical does not meet GHS hazard criteria for 33.3% (2 of 6) of reports.
Warning
H317 (50%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P271, P272, P280, P302+P352, P304+P340, P319, P321, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Ethanesulfonyl fluoride, 2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanesulfonyl fluoride, 2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro- 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: 1,1,2,2-tetrafluoro-2-[1,2,2-trifluoro-1-(trifluoromethyl)-2-[(trifluorovinyl)oxy]ethoxy]ethanesulphonyl fluoride (EC: 240-249-4)
Hazard Classes and CategoriesSkin Sens. 1B (50%)
安全データ
- tsca
- TSCA listed
- ridadr
- 2810
- 毒性
- LD50 skin in rabbit: > 17gm/kg
- hs_code
- 2930909899
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
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
Plastics Material and Resin Manufacturing
Ethanesulfonyl fluoride, 2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-: ACTIVE
応用分野
使用Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride can be used as organic synthesis intermediates and pharmaceutical intermediates, mainly used in laboratory research and development processes and chemical production processes.
サプライヤー100 社
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海麦克林生化科技股份有限公司
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