5''-氯-2''-羟基-4''-甲基苯乙酮 | 28480-70-8
中文名称:
5''-氯-2''-羟基-4''-甲基苯乙酮
英文名称:
5'-Chloro-2'-hydroxy-4'-methylacetophenone
CAS No.:
28480-70-8
分子式:
C9 H9 ClO2
分子量:
184.6196
名称和标识符
MDL
MFCD00191920
InChIKey
HDUSGGZSLVCDKY-UHFFFAOYSA-N
Inchi
1S/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H3
SMILES
ClC1=C([H])C(C(C([H])([H])[H])=O)=C(C([H])=C1C([H])([H])[H])O[H]
别名信息
- 中文别名 -
5'-氯-2'-羟基-4'-甲基苯乙酮
5 -氯-2 -羟基-4 -甲基苯乙酮
5`-氯-2`-羟基-4`-甲基苯乙酮
5'-Chloro-2'-hydroxy-4'-methylacetophenone 5'-氯-2'-羟基-4'-甲基苯乙酮
5''-氯-2''-羟基-4''-甲基苯乙酮
- 英文别名 -
Ethanone,1-(5-chloro-2-hydroxy-4-methylphenyl)-
5'-Chloro-2'-hydroxy-4'-methylacetophenone
1-(5-chloro-2-hydroxy-4-methylphenyl)ethanone
2-Acetyl-4-chloro-5-methylphenol
2-hydroxy-4-methyl-5-chloroacetophenone
2-hydroxy-5-chloro-4-methylacetophenone
4-Acetyl-2-chloro-5-hydroxytoluene
4-methyl-5-chloro-2-hydroxyacetophenone
5-chloro-4-methyl-2-hydroxyacetophenone
1-(5-chloro-2-hydroxy-4-methylphenyl)ethan-1-one
5-Chloro-2-hydroxy-4-methylacetophenone
HDUSGGZSLVCDKY-UHFFFAOYSA-N
Ethanone, 1-(5-chloro-2-hydroxy-4-methylphenyl)-
1-(5-Chloro-2-hydroxy-4-methyl-phenyl)-ethanone
AKOS002228415
FT-0638780
CS-0135262
A819471
5'-Chloro-2'-hydroxy-4'-methylacetophenone, 98%
Z57789902
NCGC00340373-01
EN300-7408519
D89437
SCHEMBL2011117
J-017106
DTXSID90344607
1-(5-chloranyl-4-methyl-2-oxidanyl-phenyl)ethanone
FS-1295
AB01333127-02
Acetophenone, 5'-chloro-2'-hydroxy-4'-methyl-
5 inverted exclamation mark -Chloro-2 inverted exclamation mark -hydroxy-4 inverted exclamation mark -methylacetophenone
28480-70-8
InChI=1/C9H9ClO2/c1-5-3-9(12)7(6(2)11)4-8(5)10/h3-4,12H,1-2H
SY050560
C1629
MFCD00191920
物化性质
实验特性
LogP
2.55660
PSA
37.30000
折射率
1.562
沸点
137°C/15mmHg(lit.)
熔点
68.0 to 72.0 deg-C
闪点
132.2°C
颜色与性状
未确定
溶解性
未确定
密度
1.25
计算特性
精确分子量
184.02900
氢键供体数量
1
氢键受体数量
2
可旋转化学键数量
1
同位素质量
184.0291072g/mol
重原子数量
12
复杂度
181
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)
2.8
互变异构体数量
15
表面电荷
0
拓扑分子极性表面积
37.3
海关数据
海关编码
2914700090
海关数据
中国海关编码:
2914700090
概述:
2914700090 其他酮及醌的卤化、磺化衍生物(包括硝化和亚硝化衍生物). 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%
申报要素:
品名, 成分含量, 用途, 丙酮报明包装
Summary:
HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%
参考资料
Reaxys RN
1943380
Beilstein
8(2)113