基本情報
- 標準SMILES
O=C(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F- InChIKey
BCLQALQSEBVVAD-UHFFFAOYSA-N- 分子式
- C6F12O2
- 平均分子量
- 332.04 g/mol
- 単同位体質量
- 331.9706672
名称と識別子
- 優先名称
- 2,3,3,3-Tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride
- IUPAC
- 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoride
- 現地名
- 2-(ヘプタフルオロプロポキシ)テトラフルオロプロピオニルフルオリド
- 英語名
- HFPO dimer, acid fluoride
- 分子式
- C6F12O2
- 分子量
- 332.04
名称と別名
2062-98-82,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl fluoridePropanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-RefChem:1059161218-173-8Perfluoro(2-methyl-3-oxahexanoyl) fluoride2,3,3,3-Tetrafluoro-2-(perfluoropropoxy)propanoyl fluoride65208-35-72-(Heptafluoropropoxy)tetrafluoropropionyl FluorideC6F12O22,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoyl fluoride2-(HEPTAFLUOROPROPOXY)TETRAFLUOROPROPIONYLFLUORIDE
名称をさらに表示
2-(ヘプタフルオロプロポキシ)テトラフルオロプロピオニルフルオリド2-(ヘプタフルオロプロポキシ)テトラフルオロプロピオニル=フロリドパーフルオロ(2-メチル-3-オキサヘキサノイル)フルオリドパーフルオロ(2-メチル-3-オキサヘキサノイル)フルオリド, 97%-3-oxahexanoyLHFPOdimer,acidfluoridePerfluoropolyether MethanolHEXAFLUOROPROPENE OXIDE DIMERperfluoro(2-propoxypropionyl) fluoridePerfluoro(2-methyl-3-oxahexanoyl)fluoride97%Perfluorinated (2-methyl-3-oxahexyl) fluorideUNDECAFLUORO-(2-METHYL-3-OXAHEXANOYL) FLUORIDEheptafluoropropoxytetrafluoropropionylfluoride
MFCD00054657Perfluoro-2-methyl-3-oxahexanoyl fluoridePropanoyl fluoride, 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)-75566-60-8EINECS 218-173-8C3F7OCF(CF3)COFDodecafluoro-(2-methyl-3-oxahexanoyl) fluoride125037-08-3
データベース識別子
- CAS
125037-08-3、2062-98-8、65208-35-7- PubChem CID
- 102740
- EC Number
- 218-173-8
- Nikkaji
- J26.712K
物性
構造計算による物性
- XLogP
- 4.1
- 極性表面積
- 26.3 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
- 4
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 380
実験および物理化学的性質
Physical DescriptionLiquid
物理化学的性質
- 沸点
- 54 · 54-56°C
- 比重(密度)
- 1.61 · 1.61
- 屈折率
- 1.3 · 1.300
- 闪点
- 54 · 54-56°C
- 貯蔵温度
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- 外見
- liquid
- 色
- Clear, colourless
- InChI
- InChI=1S/C6F12O2/c7-1(19)2(8,4(11,12)13)20-6(17,18)3(9,10)5(14,15)16
- InChIKey
- BCLQALQSEBVVAD-UHFFFAOYSA-N
- SMILES
- C(F)(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
- CAS データベース
- 2062 · 2062-98-8(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)- (2062-98-8)
安全と法規制
GHS分類
GHS Classification
Danger
H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
危険有害性情報
Regulatory Information
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)- 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)
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
Substance: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propionyl fluoride；EC: 218-173-8；Date of inclusion: >16-Jul-2019；Reason for inclusion: Equivalent level of concern having probable serious effects to human health (Article 57(f) - human health); Equivalent level of concern having probable serious effects to the environment (Article 57(f) - environment)
Hazard Classes and CategoriesMet. Corr. 1 (50%)；Skin Corr. 1B (100%)；Eye Dam. 1 (50%)
法規制情報
Regulatory Information
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)- 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)
T - indicates a substance that is the subject of a final TSCA section 4 test rule.
XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).
Substance: 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propionyl fluoride；EC: 218-173-8；Date of inclusion: >16-Jul-2019；Reason for inclusion: Equivalent level of concern having probable serious effects to human health (Article 57(f) - human health); Equivalent level of concern having probable serious effects to the environment (Article 57(f) - environment)
安全データ
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2934999090
- risk_code
- 34-37
- hazard_code
- C
- hazard_note
- Corrosive
- safety_code
- 23-26-36/37/39-45
- hazard_class
- 8
- packing_group
- II
化学と産業
用途と製造
U.S. Production2023: 550,000 - <1,000,000 lb；2022: 1,000,000 - <5,000,000 lb；2021: 1,000,000 - <5,000,000 lb；2020: 1,000,000 - <5,000,000 lb
Industry UsesMonomers
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-: ACTIVE
Poly[oxy[trifluoro(trifluoromethyl)-1,2-ethanediyl]], .alpha.-[1,2,2,2-tetrafluoro-1-(fluorocarbonyl)ethyl]-.omega.-[tetrafluoro(trifluoromethyl)ethoxy]-: ACTIVE
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