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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
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
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
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
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。
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
