hexafluoropropan-2-one

• ChemBase编号: 8850
• 分子式: C3F6O
• 平均质量: 166.0219192
• 单一同位素质量: 165.98533394
• SMILES: C(=O)(C(F)(F)F)C(F)(F)F
• Canonical SMILES: O=C(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C3F6O/c4-2(5,6)1(10)3(7,8)9
• InChIKey: VBZWSGALLODQNC-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: hexafluoropropan-2-one
• IUPAC传统名: hexafluoroacetone
• 别名: 六氟-2-丙酮; 六氟丙酮; 六氟丙酮 三水合物; Hexafluoro-2-propanone; Hexafluoroacetone; Hexafluoroacetone, anhydrous; Hexafluoroacetone trihydrate; Hexafluoroacetone; 1,1,1,3,3,3-Hexafluoropropan-2-one; Perfluoroacetone 97%; perfluoroacetone; acetone hexafluoride; perfluoro-2-propanone; Hexafluoroacetone

登记号

• CAS号: 34202-69-2; 684-16-2
• EC号: 211-676-3
• MDL号: MFCD00149061; MFCD00000422
• Beilstein号: 607236
• PubChem SID: 160972157; 24857777
• PubChem CID: 12695
• CHEBI ID: 39429
• Chemspider ID: 13846015
• 维基百科标题: Hexafluoroacetone

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.370937
• LogD (pH = 7.4): 2.370937
• Log P: 2.370937
• 摩尔折射率: 18.2152 cm^3
• 极化性: 6.654775 Å^3
• 极化表面积: 17.07 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Reacts with water
• 外观: Colorless gas
• 熔点: −129 °C (144 K); -129 °C(lit.); -129°C; 18-21°C
• 沸点: −28 °C (245 K); 105-106°C; -26 °C(lit.); -28°C
• 闪点: N/A; none°C
• 密度: 1.32; 1.32 g/ml, liquid; 1.579
• 折射率: 1.3190
• 蒸汽压: 4525 mmHg ( 21.1 °C)
• 蒸汽密度: 1.65 (vs air)

安全信息

• 保存注意事项: GAS, TOXIC BY INHALATION, CORROSIVE; Toxic/Corrosive/Teratogenic/Lachrymatory/Moisture Sensitive
• RTECS编号: UC2450000; UC2700000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 联合国危险货物编号: 2420; UN2552
• 德国WGK号: 3
• 联合国危险货物等级: 2.3; 6.1
• 联合国危险货物包装类别(PG): II
• 危险公开号: 23/24/25-37/38-41-63; 60-63-14-23/24/25-34; R14, R23/24/25,; R34, R60, R63
• 安全公开号: 4-9-20-26-27-36/37/39-45; 7/9-26-28-36-45; S7/9, S26, S28,; S36, S45, S53
• TSCA收录: true; 是
• GHS危险品标识: GHS05; GHS06; GHS08
• GHS警示词: Danger
• 主要危害: Toxic (T),; Corrosive (C)
• NFPA704:
  

  3

  2
• GHS危险声明: H280-H301 + H311-H314-H330-H360; H301-H310-H330-H315-H335-H318-H361
• GHS警示性声明: P201-P260-P280-P284-P301 + P310-P305 + P351 + P338; P260-P301+P310-P304+P340-P305+P351+P338-P320-P330-P361-P405-P501A
• 个人保护装置: Faceshields, Gloves, Goggles, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2420 2.3
• 欧盟补充危害声明: Reacts violently with water.

产品相关信息

• 纯度: 97%; 98%
• 线性分子式: (CF3)2CO

详细说明

Apollo Scientific Ltd - PC4568

Cylinder - CGA 110 connection

Sigma Aldrich - 295353

包装
100 g in Sure-Pac™
Recommended products
推荐使用不锈钢软管接头 Z146838 或不锈钢体微型气流阀 Z513547。

参考文献

• A useful method for epoxidation of alkenes with hydrogen peroxide in the presence of a catalytic amount (ca 1-5 mol%) of hexafluoroacetone trihydrate has been reported by R. A. Sheldon. In chloroform or DCM, reaction is relatively slow and yields moderate; with 1,1,1,3,3,3-Hexafluoro-2-propanol, A12747, as reaction medium, excellent yields of epoxides are obtained after a few hours at room temperature: Synlett, 1305 (2001).