1,4-二乙酰苯 | 1009-61-6
中文名称:
1,4-二乙酰苯
英文名称:
1,1'-(1,4-phenylene)bis-Ethanone
CAS No.:
1009-61-6
分子式:
C1 0 H1 0 O2
分子量:
162.1852
名称和标识符
MDL
MFCD00008750
InChIKey
SKBBQSLSGRSQAJ-UHFFFAOYSA-N
Inchi
InChI=1S/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
SMILES
CC(=O)C1=CC=C(C=C1)C(=O)C
别名信息
- 中文别名 -
1,4-二乙酰苯
对二乙酰基苯
(R)-(+)-4-羟基-2-吡咯酮
1,4-Diacetylbenzene 1,4-二乙酰苯
1,4-二乙酰基苯
2-氯甲基-4,6-二氟苯并噻唑
对二乙酰苯
1,4-二乙酰基苯 1,4-Diacetylbenzene&
1,4-对二乙酰基苯
- 英文别名 -
1,1'-(1,4-Phenylene)diethanone
4'-Acetylacetophenone
1,4-DIACETYLBENZENE
p-Diacetylbenzene
&
1-(4-acetylphenyl)ethanone
4-Acetylacetophenone
nbsp
TIMTEC-BB SBB008588
Benzene, p-diacetyl-
P-ACETYL ACETOPHENONE
PARA-ACETYLACETOPHENONE
1,4-Diacetylbenzene,98%
1,4-Diacetylbenzene 99%
1,4-二乙酰苯
P-DIACETYLBENZENE
4-ACETYLACETOPHENONE
4'-ACETYLACETOPHENONE
InChI=1/C10H10O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H
1-(4-Acetyl-phenyl)-ethanone
1-(4-acetylphenyl)ethanon
1,4-Diacetylbenzene, 99%
NSC295548
D0066
DTXCID601657
NSC 295548
1,1'-(1,4-phenylene)bis-Ethanone
1,1'-(1,4-phenylene)diethanone
NCGC00258771-01
A800303
FT-0606830
1,4-diacetyl benzene
CS-0155100
1,1-(1,4-Phenylene)bis-ethanone
1009-61-6
1-(4-Acetylphenyl)ethan-1-one
WM5GGF7BQ6
Q63399973
1,1'-(1,4-Phenylene)bis(ethan-1-one)
DTXSID7021657
J-503972
CAS-1009-61-6
AS-61744
CHEMBL3186189
NCGC00248961-01
MFCD00008750
SY017824
1,4-Diacetylbenzene
AKOS003628600
1-(4-ethanoylphenyl)ethanone
Ethanone,1'-(1,4-phenylene)bis-
NSC-295548
Ethanone, 1,1'-(1,4-phenylene)bis-
1-(4-acetylphenyl)-ethanone
EINECS 213-769-4
Tox21_201219
D80181
p-Acetylacetophenone
SCHEMBL50646
NS00010678
P-ACETHYL ACETOPHENONE
物化性质
实验特性
LogP
2.09180
PSA
34.14000
折射率
1.5120 (estimate)
沸点
120°C/1mmHg(lit.)
熔点
113.0 to 115.0 deg-C
颜色与性状
未确定。
溶解性
溶于乙醇,微溶于氯仿。
密度
1.0613 (rough estimate)
计算特性
精确分子量
162.06800
氢键供体数量
0
氢键受体数量
2
可旋转化学键数量
2
同位素质量
162.068079557g/mol
重原子数量
12
复杂度
166
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)
无
互变异构体数量
3
表面电荷
0
拓扑分子极性表面积
34.1Ų
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参考资料
Reaxys RN
1907515
Beilstein
7,686
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