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  • 苯甲酰乙酸乙酯

    Ethyl benzoylacetate

化合物简介

Ethyl Benzoylacetate is used in the preparation of pyrimidine-benzimidazol hybrids which has anticancer activities on four human cancer cell lines (MCF-7, MGC-803, EC-9706 and SMMC-7721).

基本信息

CAS:94-02-0
中文别名:3-氧代苯丙酸乙酯;苯甲酰基乙酸乙酯;
英文别名:benzoylacetic ethyl ester;ethyl 3-oxo-3-phenylpropionate;phenylformyl acetic acid ethyl ester;ethyl 3-phenyl-3-oxopropionate;Benzenepropanoic acid, β-oxo-, ethyl ester;Ethyl benzovlacetate;ethyl2-benzoylacetate;ethyl 3-oxo-3-phenylpropanoate;3-phenyl-3-oxopropanoate;Ethylbenzoylacetat;benzoyl acetic acid ethyl ester;Ethylbeonzoyl acetate;FEMA 2423;
分子式:C11H12O3
分子量:192.211
精确质量:192.079
Psa:43.37
Logp:1.8225

编号系统

MDL号:MFCD00009196
EINECS号:202-295-3

物化性质

外观与性状:白色至灰白色粉末带有一种特有的气味
密度:1.11g/mLat 25°C(lit.)
沸点:265-270°C(lit.)
熔点:< 0ºC
闪点:147°F
折射率:n20/D 1.52(lit.)
水溶解性:INSOLUBLE
稳定性:Substance may undergo color change upon exposure to light and air. Volatile in steam.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from light. Store under an inert atmosphere.
蒸汽密度:6.6 (vs air)

安全信息

RTECS号:AF4878000
安全说明:S24/25
WGK Germany:2
海关编码:29183000

生产方法及用途

合成路线

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图谱

Predict 1H proton NMR


13C NMR : Predict


1H NMR : Predict


13C NMR : in CDCl3


1H NMR : 90 MHz in CDCl3


Mass spectrum (electron ionization)


Mass


IR : liquid film


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