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化合物简介
基本信息
CAS:1074-98-2
中文别名:3-甲基-4-硝基氧化吡啶;3-甲基-4-硝基吡啶氮氧化物 3-METHYL-4-NITROPYRIDINE N-OXIDE;3-甲基-4-硝基N氧化吡啶;4-硝基-3-甲基吡啶N-氧化物;
英文别名:Pyridine, 3-methyl-4-nitro-, 1-oxide;3-methyl-4-nitropyridine-N-oxide;4-Nitro-3-picoline 1-oxide;3-Methyl-4-nitropyridine N-Oxide;3-Picoline,4-nitro-,1-oxide;4-Nitro-3-picoline N-Oxide;3-methyl-4-nitropyridine-1-oxide;4-Nitro-3-picoline-N-oxide;4-Nitro-B-picoline N-oxide;3-Methyl-4-nitropyri;3-methyl-4-nitro-pyridin1-oxide;3-methyl-4-nitropyridine-l-oxide;
分子式:C6H6N2O3
分子量:154.123
精确质量:154.038
Psa:71.28
Logp:1.8549
中文别名:3-甲基-4-硝基氧化吡啶;3-甲基-4-硝基吡啶氮氧化物 3-METHYL-4-NITROPYRIDINE N-OXIDE;3-甲基-4-硝基N氧化吡啶;4-硝基-3-甲基吡啶N-氧化物;
英文别名:Pyridine, 3-methyl-4-nitro-, 1-oxide;3-methyl-4-nitropyridine-N-oxide;4-Nitro-3-picoline 1-oxide;3-Methyl-4-nitropyridine N-Oxide;3-Picoline,4-nitro-,1-oxide;4-Nitro-3-picoline N-Oxide;3-methyl-4-nitropyridine-1-oxide;4-Nitro-3-picoline-N-oxide;4-Nitro-B-picoline N-oxide;3-Methyl-4-nitropyri;3-methyl-4-nitro-pyridin1-oxide;3-methyl-4-nitropyridine-l-oxide;
分子式:C6H6N2O3
分子量:154.123
精确质量:154.038
Psa:71.28
Logp:1.8549
编号系统
MDL号:MFCD00014626
BRN号:140157
RTECS号:UT5775000
EINECS号:214-050-8
BRN号:140157
RTECS号:UT5775000
EINECS号:214-050-8
物化性质
外观与性状:黄色结晶针状或粉末
密度:1.36 g/cm3
沸点:383ºC at 760 mmHg
熔点:135-139 °C
闪点:185.4ºC
折射率:1.585
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:0mmHg at 25°C
密度:1.36 g/cm3
沸点:383ºC at 760 mmHg
熔点:135-139 °C
闪点:185.4ºC
折射率:1.585
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:0mmHg at 25°C
安全信息
RTECS号:UT5775000
安全说明:S45-S36/37-S36-S26-S22
危险类别码:R20/21/22; R40
危险品运输编码:2811
危险类别:6.1
包装等级:II
危险品标志:Xn
安全说明:S45-S36/37-S36-S26-S22
危险类别码:R20/21/22; R40
危险品运输编码:2811
危险类别:6.1
包装等级:II
危险品标志:Xn
生产方法及用途
用途
3-甲基-4-硝基吡啶 N-氧化物是重要的精细化工中间体,在医药工业上主要用于制备轻吡头孢菌素(Compound6f)等。
3-甲基-4-硝基吡啶 N-氧化物是重要的精细化工中间体,在医药工业上主要用于制备轻吡头孢菌素(Compound6f)等。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

IR : KBr disc

IR : nujol mull
