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化合物简介
Competitive inhibitor of butyrobetaine hydroxylase
基本信息
CAS:499-81-0
中文别名:3,5-吡啶二羧酸;吡啶-3,5-二羧酸;3,5-二羧酸吡啶;3,5-二吡啶甲酸;
英文别名:3,5-Pyridinedicarboxylic acid;DINICOTINIC ACID;3,5-Pyridinedicarboxylate;3,5-Dipyridinecarboxylicacid;PYRIDINE-3,5-DICARBOXYLIC ACID;3,5-Pyridinedicarboxylicacid;Dinicotinic acid;3,5-Pyridinedicarbox;Pyridine-3,5-dicarboxylic acid;5-Pyridinedicarboxylic acid;5-Carboxynicotinic acid;
分子式:C7H5NO4
分子量:167.119
精确质量:167.022
Psa:87.49
Logp:0.478
中文别名:3,5-吡啶二羧酸;吡啶-3,5-二羧酸;3,5-二羧酸吡啶;3,5-二吡啶甲酸;
英文别名:3,5-Pyridinedicarboxylic acid;DINICOTINIC ACID;3,5-Pyridinedicarboxylate;3,5-Dipyridinecarboxylicacid;PYRIDINE-3,5-DICARBOXYLIC ACID;3,5-Pyridinedicarboxylicacid;Dinicotinic acid;3,5-Pyridinedicarbox;Pyridine-3,5-dicarboxylic acid;5-Pyridinedicarboxylic acid;5-Carboxynicotinic acid;
分子式:C7H5NO4
分子量:167.119
精确质量:167.022
Psa:87.49
Logp:0.478
编号系统
MDL号:MFCD00006393
EINECS号:207-893-8
EINECS号:207-893-8
物化性质
外观与性状:白色晶体粉末
密度:1.551 g/cm3
沸点:463.7ºC at 760 mmH
熔点:>300°C(lit.)
闪点:234.2ºC
水溶解性:insoluble
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:2.13E-09mmHg at 25°C
密度:1.551 g/cm3
沸点:463.7ºC at 760 mmH
熔点:>300°C(lit.)
闪点:234.2ºC
水溶解性:insoluble
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:2.13E-09mmHg at 25°C
安全信息
安全说明:S26-S36-S24/25-S36/37/39
危险类别码:R36/37/38
WGK Germany:3
海关编码:29333999
危险品标志:Xi
危险类别码:R36/37/38
WGK Germany:3
海关编码:29333999
危险品标志:Xi
生产方法及用途
生产方法
暂无 医药中间体。
用途
医药中间体。
暂无 医药中间体。
用途
医药中间体。
合成路线
-
参考文献
Kyba, Evan P.; Liu, Shiuh-Tzung; Chockalingam, Kannappan; Reddy, B. Raghava Journal of Organic Chemistry, 1988 , vol. 53, # 15 p. 3513 - 3521
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
Raman : 4880 A,100M,powder
Mass
IR : KBr disc
IR : nujol mull











