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化合物简介
3,3-Dimethylbutyric Acid is used in the synthesis of imidazo[4,5-c]pyridine derivatives as anitmicrobial agents.
基本信息
CAS:1070-83-3
中文别名:3,3-二甲基丁酸;叔丁基乙酸;
英文别名:3,3-Dimethylbutyric acid;3,3-Dimethylbutyric Acid;3,3-dimethylbutanoic acid;Butanoic acid, 3,3-dimethyl-;tert-Butylacetic Acid;
分子式:C6H12O2
分子量:116.158
精确质量:116.084
Psa:37.3
Logp:1.5072
中文别名:3,3-二甲基丁酸;叔丁基乙酸;
英文别名:3,3-Dimethylbutyric acid;3,3-Dimethylbutyric Acid;3,3-dimethylbutanoic acid;Butanoic acid, 3,3-dimethyl-;tert-Butylacetic Acid;
分子式:C6H12O2
分子量:116.158
精确质量:116.084
Psa:37.3
Logp:1.5072
编号系统
MDL号:MFCD00002715
BRN号:1740427
EINECS号:213-982-2
BRN号:1740427
EINECS号:213-982-2
物化性质
外观与性状:透明无色透明液体
密度:0.912g/mLat 25°C(lit.)
沸点:185-190°C(lit.)
熔点:−11°C(lit.)
闪点:192°F
折射率:n20/D 1.411(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
蒸汽压:0.286mmHg at 25°C
密度:0.912g/mLat 25°C(lit.)
沸点:185-190°C(lit.)
熔点:−11°C(lit.)
闪点:192°F
折射率:n20/D 1.411(lit.)
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Corrosives area.
蒸汽压:0.286mmHg at 25°C
安全信息
安全说明:S26-S36/37/39-S45-S36/39
WGK Germany:3
危险类别码:R34
海关编码:2915900090
危险品运输编码:UN 3265 8/PG 2
危险类别:8
包装等级:III
危险品标志:C
WGK Germany:3
危险类别码:R34
海关编码:2915900090
危险品运输编码:UN 3265 8/PG 2
危险类别:8
包装等级:III
危险品标志:C
生产方法及用途
用途
是一种重要的医药、农药、有机合成中间体,主要用作医药、农药中间体、润滑剂等。
是一种重要的医药、农药、有机合成中间体,主要用作医药、农药中间体、润滑剂等。
合成路线
上游原料
下游产品
图谱
1H NMR : Predict

13C NMR : Predict

13C NMR : in CDCl3

1H NMR : 90 MHz in CDCl3

1H NMR : parameter in CDCl3

Mass spectrum (electron ionization)

Mass

IR : liquid film
