2-氯-1-(2,5-二甲基苯基)乙酮 | 50690-11-4
中文名称:
2-氯-1-(2,5-二甲基苯基)乙酮
英文名称:
2-chloro-1-(2,5-dimethylphenyl)ethan-1-one
CAS No.:
50690-11-4
分子式:
C1 0 H1 1 OCl
分子量:
182.64674
名称和标识符
MDL
MFCD03980981
InChIKey
JVDITFWYVNXMQP-UHFFFAOYSA-N
Inchi
InChI=1S/C10H11ClO/c1-7-3-4-8(2)9(5-7)10(12)6-11/h3-5H,6H2,1-2H3
SMILES
CC1=CC(=C(C)C=C1)C(=O)CCl
别名信息
- 英文别名 -
2-Chloro-1-(2,5-dimethylphenyl)ethanone
2-CHLORO-1-(2,5-DIMETHYL-PHENYL)-ETHANONE
2-chloro-1-(2,5-dimethylphenyl)ethanone(SALTDATA: FREE)
Ethanone, 2-chloro-1-(2,5-dimethylphenyl)- (9CI)
Ethanone,2-chloro-1-(2,5-dimethylphenyl)-
1-chloroacetyl-2,5-dimethylbenzene
2,5-dimethylphenacyl chloride
2,5-Dimethylphenylcarbonyl-chlormethan
JVDITFWYVNXMQP-UHFFFAOYSA-N
JVDITFWYVNXMQP-UHFFFAOYSA-N
50690-11-4
50690-11-4
2-chloro-1-(2,5-dimethylphenyl)ethan-1-one
2-chloro-1-(2,5-dimethylphenyl)ethan-1-one
Z56910432
Z56910432
EN300-05057
EN300-05057
2-Chloro-1-(2,5-dimethylphenyl)ethanone, AldrichCPR
2-Chloro-1-(2,5-dimethylphenyl)ethanone, AldrichCPR
SCHEMBL3686610
SCHEMBL3686610
CS-0219830
CS-0219830
2-chloro-1-(2,5-dimethylphenyl)ethanone
2-chloro-1-(2,5-dimethylphenyl)ethanone
DTXSID10368264
DTXSID10368264
FT-0748760
FT-0748760
2-Chloro-1-(2,5-dimethyl-phenyl)-ethanone
2-Chloro-1-(2,5-dimethyl-phenyl)-ethanone
MFCD03980981
MFCD03980981
AKOS000200474
AKOS000200474
BS-38093
BS-38093
物化性质
实验特性
LogP
2.72490
PSA
17.07000
折射率
1.528
沸点
275.4°C at 760 mmHg
闪点
141.4°C
密度
1.107
计算特性
精确分子量
182.05000
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
182.049843
重原子数量
12
复杂度
167
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)
3
拓扑分子极性表面积
17.1
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%
相关文献
1.
Photochemical synthesis of substituted indan-1-ones related to donepezil
Tomá? Pospí?il,Aneesh Tazhe Veetil,Lovely Angel Panamparambil Antony,Petr Klán Photochem. Photobiol. Sci. 2008 7 625