(E)-1,2-dichloroethene; 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane; 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(trifluoromethyl)propane

• ChemBase编号: 158766
• 分子式: C12H8Cl2F18O2
• 平均质量: 597.0679776
• 单一同位素质量: 595.96139282
• SMILES: COC(C(C(F)(F)F)(C(F)(F)F)F)(F)F.COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F.C(=C\Cl)/Cl
• Canonical SMILES: COC(C(C(F)(F)F)(C(F)(F)F)F)(F)F.COC(C(C(C(F)(F)F)(F)F)(F)F)(F)F.Cl/C=C/Cl
• InChI: InChI=1S/2C5H3F9O.C2H2Cl2/c1-15-5(13,14)3(8,9)2(6,7)4(10,11)12;1-15-5(13,14)2(6,3(7,8)9)4(10,11)12;3-1-2-4/h2*1H3;1-2H/b;;2-1+
• InChIKey: HHJKFLXMNOPRIM-WXXKFALUSA-N

名称和登记号

名称

• IUPAC标准名: (E)-1,2-dichloroethene; 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane; 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(trifluoromethyl)propane
• IUPAC传统名: 1,1,1,2,2,3,3,4,4-nonafluoro-4-methoxybutane; 1,1,1,2,3,3-hexafluoro-3-methoxy-2-(trifluoromethyl)propane; trans-1,2-dichloroethylene
• 别名: 九氟甲氧基丁烷 - 反式-1,2-二氯乙烯 1:1 共沸物; 甲氧基九氟丁烷 - 反式-1,2-二氯乙烯 1:1 共沸物; 甲氧基全氟丁烷 - 反式-1,2-二氯乙烯 1:1 共沸物; 甲基九氟丁醚 - 反式-1,2-二氯乙烯混合物; HFE-71 DE; Methoxynonafluorobutane - trans-1,2-Dichloroethylene 1:1 azeotrope; Methoxyperfluorobutane - trans-1,2-Dichloroethylene 1:1 azeotrope; Nonafluoromethoxybutane - trans-1,2-Dichloroethylene 1:1 Azeotrope; Nonafluorobutyl methyl ether - trans-1,2-Dichloroethylene mixture

登记号

• CAS号: 185045-68-5
• PubChem SID: 24883827; 162252902
• PubChem CID: 71312682

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.0674062
• LogD (pH = 7.4): 3.0674062
• Log P: 3.0674062
• 摩尔折射率: 28.6378 cm^3
• 极化性: 10.806019 Å^3
• 极化表面积: 9.23 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 沸点: 41 °C(lit.)
• 折射率: n20/D 1.354

安全信息

• 欧盟危险性物质标志: 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 20-52/53
• 安全公开号: 61
• GHS危险声明: H412
• GHS警示性声明: P273

产品相关信息

• 纯度: ≥99.0% (total assay of azeotrope, GC)
• 级别: puriss.
• Empirical Formula (Hill Notation): C5H3F9O · C2H2Cl2

详细说明

Sigma Aldrich - 65141

Application
该溶剂无臭氧降解活性，并具有轻微毒性