4-氯肉桂醛 | 49678-02-6
中文名称:
4-氯肉桂醛
英文名称:
(E)-3-(4-Chlorophenyl)acrylaldehyde
CAS No.:
49678-02-6
分子式:
C9 H7 ClO
分子量:
166.6043
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:4-氯肉桂醛结构式
名称和标识符
MDL
MFCD00156880
InChIKey
HONRSHHPFBMLBT-OWOJBTEDSA-N
Inchi
1S/C9H7ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-7H/b2-1+
SMILES
ClC1C([H])=C([H])C(/C(/[H])=C(\[H])/C([H])=O)=C([H])C=1[H]
别名信息
- 中文别名 -
4-氯肉桂醛
对氯肉桂醛
3-(4-氯苯基)-2-丙烯醛
- 英文别名 -
(E)-3-(4-Chlorophenyl)acrylaldehyde
(E)-3-(4-Chlorophenyl)-2-propenal
3-(4-Chlorophenyl)acrylaldehyde
4-Chlorocinnamaldehyde
P-CHLOROCINNAMALDEHYDE
4-Chloro cinnamaldehyde
3-(4-chlorophenyl)prop-2-enal
(E)-3-(4-chlorophenyl)prop-2-enal
2-Propenal, 3-(4-chlorophenyl)-, (2E)-
4-Chlorobenzeneacrylaldehyde
trans-4-chlorocinnamaldehyde
AMBZ0220
HONRSHHPFBMLBT-OWOJBTEDSA-N
RP17412
QC
SCHEMBL431858
p-Chlorocinnamaldehyde
Z2242062296
1075-77-0
trans-3-(4-Chlorophenyl)-2-propenal
4-Chlorocinnamaldehyde, 96%
BAA07577
J-501913
MFCD00156880
A871753
trans-p-Chlorocinnamaldehyde
AMY3536
CS-D1085
AKOS006273607
PK04_096309
DS-6010
EN300-116409
(E)-3-(4-Chloro-phenyl)-propenal
4-CHLOROCINNAMALDEHYDE
49678-02-6
NCGC00170991-01
物化性质
实验特性
LogP
2.55210
PSA
17.07000
沸点
290.4°C at 760 mmHg
熔点
57-63 °C
蒸气压
0.0±0.6 mmHg at 25°C
闪点
134.6±11.5 °C
颜色与性状
No data avaiable
密度
1.2±0.1 g/cm3
计算特性
精确分子量
166.01900
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
2
同位素质量
166.0185425g/mol
重原子数量
11
复杂度
146
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
1
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)
2.1
拓扑分子极性表面积
17.1
生产方法和用途
用途
本品是一种有机合成中间体,主要用于医药,化工合成。
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