1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane

• ChemBase编号: 6648
• 分子式: C8F16
• 平均质量: 400.0600512
• 单一同位素质量: 399.97445152
• SMILES: C1(F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(F)C(C(C1(F)F)(F)F)(F)F
• Canonical SMILES: FC1(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(C(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C8F16/c9-1(7(19,20)21)3(11,12)2(10,8(22,23)24)5(15,16)6(17,18)4(1,13)14
• InChIKey: LOQGSOTUHASIHI-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,1,2,2,3,3,4,5,5,6-decafluoro-4,6-bis(trifluoromethyl)cyclohexane
• IUPAC传统名: perfluorodimethylcyclohexane
• 别名: 全氟(1,3-二甲基环己烷); 十六氟-1,3-二甲基环己烷; 十六氟-1,3-二甲基环己烷（顺反异构体混合物）; 十氟-1,3-双(三氟甲基)环己烷; 全氟-1,3-二甲基环己烷; 全氟-1,3-二甲基环己烷; 1,1,2,2,3,3,4,5,5,6-十氟代-4,6-双(三氟代甲基)环己烷; Perfluoro-1,3-dimethylcyclohexane; Perfluoro-1,3-dimethylcyclohexane, tech.; Perfluoro(1,3-dimethylcyclohexane); Decafluoro-1,3-bis(trifluoromethyl)cyclohexane; Hexadecafluoro-1,3-dimethylcyclohexane (cis+trans); Hexadecafluoro-1,3-dimethylcyclohexane; Perfluoro-1,3-dimethylcyclohexane; Perfluoro-1,3-dimethylcyclohexane; Hexadecafluoro-1,3-dimethylcyclohexane; 4,6-Bis(trifluoromethyl)-1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane; Hexadecafluoro(1,3-dimethylcyclohexane); Perfluoro(1,3-dimethylcyclohexane) 90%; PERFLUORODIMETHYLCYCLOHEXANE (MIX 1,3 AND 1,4 ISOMERS); FlutecR PP3

登记号

• CAS号: 335-27-3
• EC号: 206-386-9
• MDL号: MFCD00001469
• Beilstein号: 2064147
• PubChem SID: 24887161; 24857038; 160969955
• PubChem CID: 78975

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.0818143
• LogD (pH = 7.4): 5.0818143
• Log P: 5.0818143
• 摩尔折射率: 37.8922 cm^3
• 极化性: 15.349893 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: -55 °C(lit.); -55°C; -70°C; -70°C
• 沸点: 101-102 °C(lit.); 101-102°C; 101-102°C; 102°C
• 密度: 1.82; 1.828; 1.828 g/mL at 25 °C(lit.); 1.85 g/mL at 20 °C(lit.)
• 折射率: 1.2895; 1.2908; 1.3; 1.3000; n20/D 1.3(lit.)
• 蒸汽密度: 14 (vs air)

安全信息

• 保存注意事项: Irritant; Non-hazardous
• RTECS编号: GV4990000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38
• 安全公开号: 26-36
• TSCA收录: true; 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ~80% (GC); 80%; 80+%; 98%; tech. 80%, remainder other fluorocarbons
• 级别: technical; technical grade
• 线性分子式: C6F10(CF3)2

详细说明

MP Biomedicals - 05205489

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 282316

包装
50, 250 g in glass bottle