3-氯苯丙酮 | 936-59-4
中文名称:
3-氯苯丙酮
英文名称:
3-Chloropropiophenone
CAS No.:
936-59-4
分子式:
C9 H9 ClO
分子量:
168.620161771774
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:3-氯苯丙酮结构式
名称和标识符
MDL
MFCD00000990
InChIKey
KTJRGPZVSKWRTJ-UHFFFAOYSA-N
Inchi
1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
SMILES
O=C(CCCl)C1C=CC=CC=1
BRN
2043580
别名信息
- 中文别名 -
3-氯苯丙酮
3-氯代苯丙酮
氯苯丙酮
β-氯苯基丙酮
Β-氯代苯丙酮
3-氯-1-苯基-1-丙酮
3-Chloropropiophenone 3-氯苯丙酮
3-氯苯***
3'-氯代苯丙酮
3-氯苯丙同
3’-氯代苯丙酮
β-氯苯丙酮
- 英文别名 -
3-Chloro-1-phenylpropan-1-one
3-CHLORO-1-OXO-1-PHENYLPROPANE
3-CHLORO-1-PHENYL-1-PROPANONE
B-CHLOROPROPIOPHENONE
BETA-CHLOROPROPIOPHENONE
2-Chloroethyl phenyl ketone
3-chloro-1-phenyl-1-propanon
3-Chloropropanophenone
beta-Chloroethyl phenyl ketone
omega-Chloropropiophenone
Propiophenone, 3-chloro-
-Chloro-Phenyl-1-Propanone
á-chloropropiophenone
SS-CHLORO -PHENYL-1-PROPANONE
3-Chloropropiophenone
2-Chloro-1-benzoylethane
3-chloro-1-phenyl-propan-1-one
PhCOCH2CH2Cl
Propiophenone,3-chloro
3-Chloro-1-phenyl-1-propanone (ACI)
Propiophenone, 3-chloro- (7CI, 8CI)
1-Phenyl-3-chloro-1-propanone
NSC 227202
NSC 37238
β-Chloroethyl phenyl ketone
β-Chloropropanophenone
β-Chloropropiophenone
ω-Chloropropiophenone
3-Chloro-1-phenyl-1-propanone
beta-Chloropropiophenone
物化性质
实验特性
LogP
2.49820
PSA
17.07000
折射率
1.5350 (estimate)
水溶性
不溶
沸点
147°C/14mmHg(lit.)
熔点
46.0 to 50.0 deg-C
闪点
华氏:>235.4 °F 摄氏:>113 °C
颜色与性状
白色晶体粉末
稳定性
Stable. Incompatible with strong bases, strong oxidizing agents.
溶解性
水溶性Insoluble
密度
1.1115 (rough estimate)
计算特性
精确分子量
168.03400
氢键供体数量
0
氢键受体数量
1
可旋转化学键数量
3
同位素质量
168.034
重原子数量
11
复杂度
128
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
2
表面电荷
0
拓扑分子极性表面积
17.1A^2
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%
生产方法和用途
用途
用于合成药物安非他酮医药中间体,也可用于其他有机合成
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参考资料
Reaxys RN
2043580
Beilstein
7(4)683
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3-氯代苯丙酮
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