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化合物简介
4-Nitro-benzeneethanol is a useful synthetic intermediate. It can be used to synthesize N-phenylethylindole carboxamides as SAR study of allosteric modulators of CB1 receptor. It can also be used to prepare 2-aza-2'-deoxyinosine-containing oligodeoxyribonucleotide duplexes.
基本信息
CAS:100-27-6
中文别名:4-硝基苯乙醇;2-(4-硝基苯)乙醇;
英文别名:2-(4-nitrophenyl)ethanol;2-(4-Nitrophenyl)ethyl Alcohol;Benzeneethanol, 4-nitro-;4-Nitrophenethyl Alcohol;2-(4-Nitrophenyl)ethanol;
分子式:C8H9NO3
分子量:167.162
精确质量:167.058
Psa:66.05
Logp:1.6528
中文别名:4-硝基苯乙醇;2-(4-硝基苯)乙醇;
英文别名:2-(4-nitrophenyl)ethanol;2-(4-Nitrophenyl)ethyl Alcohol;Benzeneethanol, 4-nitro-;4-Nitrophenethyl Alcohol;2-(4-Nitrophenyl)ethanol;
分子式:C8H9NO3
分子量:167.162
精确质量:167.058
Psa:66.05
Logp:1.6528
编号系统
MDL号:MFCD00010202
RTECS号:SG8602000
PubChem号:24886589
EINECS号:202-835-8
BRN号:1866148
RTECS号:SG8602000
PubChem号:24886589
EINECS号:202-835-8
BRN号:1866148
物化性质
外观与性状:黄色至橙色结晶粉末
密度:1.27g/cm3
沸点:177°C16mm Hg(lit.)
熔点:59-62°C(lit.)
闪点:144.5ºC
折射率:1.581
稳定性:Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
储存条件:Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
蒸汽压:0.000455mmHg at 25°C
密度:1.27g/cm3
沸点:177°C16mm Hg(lit.)
熔点:59-62°C(lit.)
闪点:144.5ºC
折射率:1.581
稳定性:Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
储存条件:Keep in a cool, dry, dark location in a tightly sealed container or cylinder. Keep away from incompatible materials, ignition sources and untrained individuals. Secure and label area. Protect containers/cylinders from physical damage.
蒸汽压:0.000455mmHg at 25°C
安全信息
RTECS号:SG8602000
安全说明:S22-S24/25-S26
危险类别码:R22
WGK Germany:3
海关编码:2906299090
危险品标志:Xi; Xn
安全说明:S22-S24/25-S26
危险类别码:R22
WGK Germany:3
海关编码:2906299090
危险品标志:Xi; Xn
生产方法及用途
用途
用于有机合成
用于有机合成
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 CDCl3

1H NMR : 400 MHz in CDCl3

Mass

IR : nujol mull

IR : KBr disc
