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Product details

名称

3'-氯苯丙酮

分子类型

小分子

别名

间氯苯丙酮 | 3-氯苯丙酮

英文别名

英文名称

3’-Chloropropiophenone

货号

C136265-100g

包装规格

100g

浓度

≥98%(GC)

运输条件

常规运输

产品介绍

溶剂和温度对3′-氯苯乙酮苯基化产率和对映选择性的影响已被研究。用途： 3′-氯代苯丙酮可用作合成以下物质的反应物：通过生物催化不对称还原法制备的（S）-3-氯-1-苯基丙醇在二羟基双磺酰胺配体存在的情况下通过与二苯基锌的苯基化作用制备的1-(3-氯苯基)-1-苯基-1-丙醇。选择性5-羟色胺再摄取抑制剂(S)-达泊西汀。

CAS号

34841-35-5

分子式

C9H9ClO

分子量

168.62 g/mol

Beilstein号

7(3)1028

PubChem编号

587128

Isomeric SMILES

CCC(=O)C1=CC(=CC=C1)Cl

IIUPAC Name

1-(3-chlorophenyl)propan-1-one

INCHI

1S/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChi Key

PQWGFUFROKIJBO-UHFFFAOYSA-N

Smiles

CCC(=O)C1=CC(=CC=C1)Cl

溶解性

可溶于甲醇

熔点

47 °C

氢键供体数Hydrogen Bond Donor Count

氢键受体数Hydrogen Bond Acceptor Count

可旋转键计数Rotatable Bond Count

精确质量Exact Mass

168.034 Da

单同位素质量Monoisotopic Mass

168.034 Da

拓扑极表面积Topological Polar Surface Area

17.100 Å²

重原子数Heavy Atom Count

形式电荷Formal Charge

复杂度Complexity

144

同位素原子数Isotope Atom Count

共价键合单元计数Covalently-Bonded Unit Count

XLogP3

闪点(℃)

>113 °C

沸点

124 °C/14 mmHg

Reaxy-Rn

2043575

Safety

「No Dangerous Attributes」

「No upstream and downstream information yet」

Technical Documents

「No technical documents」

Articles

「No related articles yet」

user reviews

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Research chemical 100g; ≥98%; GC

Name: Research chemical 100g; ≥98%; GC
Brand: 阿拉丁
SKU: C136265-100g

Research chemical 100g; ≥98%; GC; supplied for laboratory research, analysis, inspection, and scientific procurement use; specifications: 100g; ≥98%; GC.

item number：C136265-100g

Product model：100g

level： 100g; ≥98%; GC

Lead Time：30days

sold 965 Items

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Specifications：

100g

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Research chemical 100g; ≥98%; GC

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