10543-95-0 ((2-Propanone,1,1,1,3,3,3-hexafluoro-, hydrate (1:1))

快速询单

结构式：

2-Propanone,1,1,1,3,3,3-hexafluoro-, hydrate (1:1)MOL文件

CAS号：

10543-95-0

英文名称：

2-Propanone,1,1,1,3,3,3-hexafluoro-, hydrate (1:1)

分子式：

C₃H₂F₆O₂

分子量：

184.037202358246

2-Propanone,1,1,1,3,3,3-hexafluoro-, hydrate (1:1)(10543-95-0)名称与标识符

名称

英文别名：

2-Propanone,1,1,1,3,3,3-hexafluoro-, hydrate (1:1);1,1,1,3,3,3-hexafluoropropan-2-one,hydrate;HEXAFLUORO-2-PROPANONE MONOHYDRATE;2-Propanone, hexafluoro-, hydrate;Acetone, hexafluoro-, hydrate;ACMC-20aj2s;Hexafluoro-2-propanone trihydrate;Hexafluoroacetone hydrate;Perfluoroacetone trihydrate;UN2552;hexafluoroacetone monohydrate;Hexafluoroacetone hydrate [UN2552] [Poison];2-Propanone,1,1,1,3,3,3-hexafluoro-, hydrate (5:8);1,1,1,3,3,3-hexafluoro-propan-2-one hydrate;A822119;1,1,1,3,3,3-hexafluoropropan-2-one hydrate;AKOS024386531;10543-95-0;1,1,1,3,3,3-hexafluoropropan-2-one;hydrate;109640-39-3;1,1,1,3,3,3-hexafluoropropan-2-one hydrate;Hexafluoroacetone trihydrate;SCHEMBL104500;Hexafluoroacetone deuterate;DTXSID80147129;

标识符

InChIKey：

HEBNOKIGWWEWCN-UHFFFAOYSA-N

Inchi：

1S/C3F6O.H2O/c4-2(5,6)1(10)3(7,8)9;/h;1H2

SMILES：

FC(C(C(F)(F)F)=O)(F)F.O

2-Propanone,1,1,1,3,3,3-hexafluoro-, hydrate (1:1)(10543-95-0)物化性质

实验特性

PSA : 48.57
沸点 : 234.3°Cat760mmHg
熔点 : -125.45 deg C @ 101.3 kPa
闪点 : 104.3°C
密度 : 1.496

计算特性

精确分子量 : 183.99586
氢键供体数量 : 0
氢键受体数量 : 7
可旋转化学键数量 : 0
同位素质量 : 165.985334
重原子数量 : 10
复杂度 : 124
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.5
拓扑分子极性表面积 : 17.1

2-Propanone,1,1,1,3,3,3-hexafluoro-, hydrate (1:1)(10543-95-0)安全信息

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