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化合物简介
基本信息
CAS:2613-89-0
中文别名:苯基丙二酸;苯吗啉酸,苯基丙二酸;苯吗啉酸;
英文别名:Phenylpropanedioc acid;2-Phenylmalonic acid;2-phenylmalonic acid;phenylmalonate;2-Phenylmalonate;Malonic acid,phenyl;Phenylmalonic Acid;Propanedioic acid,phenyl;Phenylmalonic acid;
分子式:C9H8O4
分子量:180.157
精确质量:180.042
Psa:74.6
Logp:0.9394
中文别名:苯基丙二酸;苯吗啉酸,苯基丙二酸;苯吗啉酸;
英文别名:Phenylpropanedioc acid;2-Phenylmalonic acid;2-phenylmalonic acid;phenylmalonate;2-Phenylmalonate;Malonic acid,phenyl;Phenylmalonic Acid;Propanedioic acid,phenyl;Phenylmalonic acid;
分子式:C9H8O4
分子量:180.157
精确质量:180.042
Psa:74.6
Logp:0.9394
编号系统
MDL号:MFCD00004253
PubChem号:24849865
EINECS号:220-044-6
BRN号:2048729
PubChem号:24849865
EINECS号:220-044-6
BRN号:2048729
物化性质
外观与性状:白色粉末
密度:1.399g/cm3
沸点:363ºC at 760mmHg
熔点:149-152°C (dec.)(lit.)
闪点:187.5ºC
水溶解性:soluble
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:6.63E-06mmHg at 25°C
密度:1.399g/cm3
沸点:363ºC at 760mmHg
熔点:149-152°C (dec.)(lit.)
闪点:187.5ºC
水溶解性:soluble
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
蒸汽压:6.63E-06mmHg at 25°C
安全信息
安全说明:S26-S36-S24/25
危险类别码:R22; R41
WGK Germany:3
海关编码:2917399090
危险品标志:Xn
危险性描述:H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
信号词:Warning
危险标志:GHS07
危险类别码:R22; R41
WGK Germany:3
海关编码:2917399090
危险品标志:Xn
危险性描述:H315; H319; H335
危险性防范说明:P261; P305 + P351 + P338
信号词:Warning
危险标志:GHS07
生产方法及用途
用途
该品是抗菌素类药物羧苄青霉素钠的中间体。
该品是抗菌素类药物羧苄青霉素钠的中间体。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in DMSO-d6

1H NMR : 400 MHz in DMSO-d6

Raman : 4880 A,200 M,powder

Mass

IR : KBr disc

IR : nujol mull
