1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene

• ChemBase编号: 10333
• 分子式: C6F12
• 平均质量: 300.0450384
• 单一同位素质量: 299.98083864
• SMILES: C(=C(C(F)(F)F)C(F)(F)F)(C(C(F)(F)F)(F)F)F
• Canonical SMILES: FC(=C(C(F)(F)F)C(F)(F)F)C(C(F)(F)F)(F)F
• InChI: InChI=1S/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15
• InChIKey: FAEGGADNHFKDQX-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene
• IUPAC传统名: 1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene
• 别名: 全氟(2-甲基-2-戊烯); 十二氟-2-甲基-2-戊烯; 全氟-2-甲基-2-戊烯; Nonafluoro-2-(trifluoromethyl)pent-2-ene; Perfluoro(2-methylpent-2-ene) 99%; Dodecafluoro(2-methyl-2-pentene); Perfluoro(2-methyl-2-pentene); Perfluoro(2-methylpent-2-ene); Dodecafluoro-2-methyl-2-pentene; Perfluoro-2-methyl-2-pentene; 1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)pent-2-ene

登记号

• CAS号: 1584-03-8
• EC号: 216-436-1
• MDL号: MFCD00015724
• PubChem SID: 160973640; 24862468
• PubChem CID: 74105

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 3.6927845
• LogD (pH = 7.4): 3.6927845
• Log P: 3.6927845
• 摩尔折射率: 33.1981 cm^3
• 极化性: 11.832373 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 48-54°C; 48-54°C; 53-61 °C(lit.)
• 闪点: 10.4 °F; -12 °C; -12°C; -12°C(10°F)
• 密度: 1.62; 1.620; 1.622; 1.622 g/mL at 25 °C(lit.)
• 折射率: ca. 1.3
• 蒸汽压: 4.31 psi ( 20 °C)
• 疏水性(logP): 1.68

安全信息

• 保存注意事项: Highly Flammable; IRRITANT
• 欧盟危险性物质标志: 易燃性(Flammable) (F)
• 联合国危险货物编号: 1993; UN1993
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 11
• 安全公开号: 16-29-33; 33
• TSCA收录: false; 否
• GHS危险品标识: GHS02
• GHS警示词: Danger
• GHS危险声明: H225
• GHS警示性声明: P210; P210-P241-P280-P303+P361+P353-P403+P235-P501A
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1993 3/PG 2

产品相关信息

• 纯度: 90%; 95%; 97%; 98%
• 线性分子式: C2F5CF=C(CF3)2

详细说明

Apollo Scientific Ltd - PC6122P

Contains 5-10% Perfluoro(4-methylpent-2-ene)