化学科研者一站式服务平台


  • 2-甲基-3-硝基苯甲酸

    2-Methyl-3-nitrobenzoic acid

化合物简介

3-Nitro-o-toluic Acid, is a building block used for the synthesis of various compounds. It is an intermediate for the synthesis of 4-(Piperazin-1-ylmethyl)-N1-arylsulfonyl indole derivatives as 5-HT6 receptor ligands.

基本信息

CAS:1975-50-4
中文别名:3-硝基-2-甲基苯甲酸;3-硝基邻甲基苯甲酸;
英文别名:2-Methyl-3-Nitrobenzoic Acid;2-methyl-3-nitro-benzoic acid;Benzoic acid,2-methyl-3-nitro;3-Nitro-2-methyl benzoic acid;3-Nitro-o-toluic Acid;2-Methyl-nitrobenzoic acid;3-NITRO-O-TOLUIC ACID;3-Nitro-2-Toluic Acid;Benzoic acid, 2-methyl-3-nitro-;2-methyl-3-nitro-benzoicaci;3-nitro-2-Methyl benzoate;
分子式:C8H7NO4
分子量:181.145
精确质量:181.038
Psa:83.12
Logp:2.1246

编号系统

EINECS号:217-826-4
BRN号:2050096
MDL号:MFCD00007160

物化性质

外观与性状:白色至略黄色结晶粉末
密度:1.392 g/cm3
沸点:337.1ºC at 760 mmHg
熔点:182-184°C(lit.)
闪点:151.9ºC
稳定性:Stable under normal temperatures and pressures.
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:4.21E-05mmHg at 25°C

安全信息

安全说明:S26-S36-S36/37/39-S22
WGK Germany:3
危险类别码:R20/21/22; R36/37/38
海关编码:2916399090
危险品标志:Xn

生产方法及用途

用途
用作医药中间体。

合成路线

上游原料

下游产品

图谱

Predict 1H proton NMR


13C NMR : Predict


1H NMR : Predict


Mass


IR : nujol mull


IR : KBr disc


加载中...