基本情報
- CAS
813-44-5- 標準SMILES
O=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
GRVMOMUDALILLH-UHFFFAOYSA-N- 分子式
- C7F14O
- 平均分子量
- 366.05 g/mol
- 単同位体質量
- 365.9725597
概要
Bis(perfluorisopropyl) ketone is a liquid.
名称と識別子
- 優先名称
- Bis(perfluorisopropyl) ketone
- IUPAC
- 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one
- 現地名
- 1,1,1,2,4,5,5,5-オクタフルオロ-2,4-ビス(トリフルオロメチル)-3-ペンタノン
- 英語名
- Bis(heptafluoroisopropyl)ketone
- 分子式
- C7F14O
- 分子量
- 366.05
名称と別名
1,1,1,2,4,5,5,5-Octafluoro-2,4-bis(trifluoromethyl)pentan-3-oneBis(perfluorisopropyl) ketone1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-3-pentanoneperfluoroisopropyl ketone3-Pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-RefChem:569245PERFLUORODIISOPROPYL KETONE212-384-9813-44-5Bis(perfluoroisopropyl)ketoneBis(heptafluoroisopropyl)ketoneMFCD00042087
名称をさらに表示
1,1,1,2,4,5,5,5-オクタフルオロ-2,4-ビス(トリフルオロメチル)-3-ペンタノンビス(ヘプタフルオロイソプロピル)ケトン1，1，1，2，4，5，5，5-オクタフルオロ-2，4-ビス（トリフルオロメチル）ペンタン-3-オンBis(PerfluoroisoPerfluoroheptanoneBis(heptafluoroisopropyl)ketone97%Bis(heptafluoroisopropyl)ketone 97%Bis(perfluoroisopropyl)methanone97%Bis(perfluoroisopropyl)methanone 97%2,4-BIS(TRIFLUOROMETHYL)OCTAFLUORO-3-PENTANONE
Bis(perfluoroisopropyl)methanoneEINECS 212-384-99Y9SXH8QN7bis(perfluoroisopropyl) ketonePerfluorobis(isopropyl) ketoneSCHEMBL982803DTXSID4074855(CF3)2CFC(O)CF(CF3)2
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
- 2
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 364
実験および物理化学的性質
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physical DescriptionBis(perfluorisopropyl) ketone is a liquid.
物理化学的性質
- 沸点
- 72 °C · 72 °C
- 比重(密度)
- 1.661 · 1.661
- 闪点
- 72 · 72-73°C
- 外見
- liquid
- 比重
- 1.661 · 1.661
- 色
- Clear
- BRN
- 1916532 · 1916532
- 安定性
- 安定
- CAS データベース
- 813 · 813-44-5(CAS DataBase Reference)
- EPAの化学物質情報
- Bis(perfluorisopropyl) ketone (813-44-5)
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 14.3% (1 of 7) of reports.
Warning
H302 (71.4%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 7 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 InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
DOT LabelPoison
Fire HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Health HazardsExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Reactive GroupKetones
Reactivity Profile
Ketones, such as BIS(PERFLUORISOPROPYL) KETONE, are reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion of the ketone. Ketones react with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Ketones are incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. They react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
化学と産業
用途と製造
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information3-Pentanone, 1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)-: ACTIVE
応用分野
一般的な説明Liquid.
上流・下流製品情報
上流原料
下流製品
サプライヤー27 社
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司
関連反応
2 件
化合物ノート
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