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化合物简介
mono-Methyl Terephthalate is used in the synthesis of Hepatits C antiviral activity. Also used in the design and preparation of benzamide derivatives as BRAFV600E inhibitors, which if mutated, can influence malignancies and melanomas.
基本信息
CAS:1679-64-7
中文别名:
英文别名:4-(Methoxycarbonyl)benzoic acid;1,4-Benzenedicarboxylic acid, monomethyl ester;Terephthalic Acid Monomethyl Ester;Methyl 4-carboxybenzoate;Mono-Methyl Terephthalate;p-terephthalic acid monomethyl ester;terephthalic acid mono methyl ester;RARECHEM AL BE 0109;Mono-methyl terephth;Tetraphthalic acid;1,4-benzenedicarboxylic acid monomethyl ester;Monomethyl ester;4-carbomethoxy-benzoic acid;MMT;4-carboxybenzoic acid methyl ester;mono-Methylterephthalate;M-Methyl terephthalate;Methyl Hydrogen Terephthalate;Monomethyl Terephthalate;mono-methylterephthlate;
分子式:C9H8O4
分子量:180.157
精确质量:180.042
Psa:63.6
Logp:1.1714
中文别名:
英文别名:4-(Methoxycarbonyl)benzoic acid;1,4-Benzenedicarboxylic acid, monomethyl ester;Terephthalic Acid Monomethyl Ester;Methyl 4-carboxybenzoate;Mono-Methyl Terephthalate;p-terephthalic acid monomethyl ester;terephthalic acid mono methyl ester;RARECHEM AL BE 0109;Mono-methyl terephth;Tetraphthalic acid;1,4-benzenedicarboxylic acid monomethyl ester;Monomethyl ester;4-carbomethoxy-benzoic acid;MMT;4-carboxybenzoic acid methyl ester;mono-Methylterephthalate;M-Methyl terephthalate;Methyl Hydrogen Terephthalate;Monomethyl Terephthalate;mono-methylterephthlate;
分子式:C9H8O4
分子量:180.157
精确质量:180.042
Psa:63.6
Logp:1.1714
编号系统
MDL号:MFCD00002557
EINECS号:216-849-7
PubChem号:24859733
BRN号:1911082
EINECS号:216-849-7
PubChem号:24859733
BRN号:1911082
物化性质
外观与性状:白色晶体
密度:1.288 g/cm3
沸点:331.6ºC at 760 mmHg
熔点:220-223°C(lit.)
闪点:136ºC
储存条件:Keep tightly closed. Store in a cool dry place.
蒸汽压:6.13E-05mmHg at 25°C
密度:1.288 g/cm3
沸点:331.6ºC at 760 mmHg
熔点:220-223°C(lit.)
闪点:136ºC
储存条件:Keep tightly closed. Store in a cool dry place.
蒸汽压:6.13E-05mmHg at 25°C
安全信息
安全说明:S26-S36-S37/39
WGK Germany:3
危险类别码:R36/37/38
海关编码:2917399090
危险品标志:Xi
WGK Germany:3
危险类别码:R36/37/38
海关编码:2917399090
危险品标志:Xi
生产方法及用途
用途
有机合成中间体,主要用于医药的合成。
有机合成中间体,主要用于医药的合成。
合成路线
上游原料
下游产品
图谱
13C NMR : Predict

1H NMR : Predict

IR : KBr disc

IR : nujol mull
