5-氯-2-甲基-3-硝基苯甲酸甲酯 | 294190-17-3

物质功能分类

医药中间体 - 原料药中间体

分子结构分类

有机化合物 - 苯类化合物 - 苯和取代衍生物

中文名称

5-氯-2-甲基-3-硝基苯甲酸甲酯

中文别名

2-甲基-3-硝基-5-氯苯甲酸甲酯

英文名称

methyl 5-chloro-2-methyl-3-nitrobenzoate

英文别名

——

CAS

294190-17-3

化学式

C₉H₈ClNO₄

mdl

——

分子量

229.62

InChiKey

JAMJGHLCWGZMDT-UHFFFAOYSA-N

BEILSTEIN

——

EINECS

——

物化性质

沸点：

317.1±37.0 °C(Predicted)
密度：

1.371±0.06 g/cm3(Predicted)

计算性质

辛醇/水分配系数(LogP)：

2.6
重原子数：

15
可旋转键数：

2
环数：

1.0
sp3杂化的碳原子比例：

0.22
拓扑面积：

72.1
氢给体数：

0
氢受体数：

4

安全信息

海关编码：

2916399090

上下游信息

上游原料

中文名称	英文名称	CAS号	化学式	分子量
5-氯-2-甲基-3-硝基苯甲酸	5-chloro-2-methyl-3-nitrobenzoic acid	154257-81-5	C₈H₆ClNO₄	215.593
2-甲基-3-硝基苯甲酸	2-methyl-3-nitrobenzic acid	1975-50-4	C₈H₇NO₄	181.148

下游产品

中文名称	英文名称	CAS号	化学式	分子量
——	methyl 2-(bromomethyl)-5-chloro-3-nitrobenzoate	1207455-25-1	C₉H₇BrClNO₄	308.516
——	6-chloro-4-nitroisobenzofuran-1(3H)-one	1207455-26-2	C₈H₄ClNO₄	213.577
3-氨基-5-氯-2-甲基苯甲酸甲酯	methyl 3-amino-5-chloro-2-methylbenzoate	294190-18-4	C₉H₁₀ClNO₂	199.637
——	methyl 5-chloro-3-(isobutylamino)-2-methylbenzoate	1403596-60-0	C₁₃H₁₈ClNO₂	255.744
——	4-amino-6-chloroisobenzofuran-1(3H)-one	1207455-27-3	C₈H₆ClNO₂	183.594
——	methyl 5-chloro-3-(cyclobutylamino)-2-methylbenzoate	1403596-70-2	C₁₃H₁₆ClNO₂	253.729
——	methyl 5-chloro-3-((cyclopentylmethyl)amino)-2-methylbenzoate	1403596-65-5	C₁₅H₂₀ClNO₂	281.782
——	methyl 5-chloro-3-(cyclopentylamino)-2-methylbenzoate	1403595-41-4	C₁₄H₁₈ClNO₂	267.755
——	methyl 5-chloro-3-(cyclohexylamino)-2-methylbenzoate	1403595-38-9	C₁₅H₂₀ClNO₂	281.782
——	methyl 5-chloro-3-(isobutyl(methyl)amino)-2-methylbenzoate	1403596-61-1	C₁₄H₂₀ClNO₂	269.771
——	methyl 5-chloro-3-(cycloheptylamino)-2-methylbenzoate	1403595-92-5	C₁₆H₂₂ClNO₂	295.809
——	methyl 5-chloro-2-methyl-3-((tetrahydro-2H-pyran-4-yl)amino)benzoate	1403595-50-5	C₁₄H₁₈ClNO₃	283.755
——	methyl 5-chloro-3-(ethyl(isobutyl)amino)-2-methylbenzoate	1403596-63-3	C₁₅H₂₂ClNO₂	283.798
——	methyl 5-chloro-2-methyl-3-(((tetrahydro-2H-pyran-4-yl)methyl)amino)benzoate	1403596-75-7	C₁₅H₂₀ClNO₃	297.782
——	methyl 3-((2-((tert-butoxycarbonyl)amino)ethyl)amino)-5-chloro-2-methylbenzoate	1403595-80-1	C₁₆H₂₃ClN₂O₄	342.823
——	methyl 5-chloro-3-(cyclobutyl(methyl)amino)-2-methylbenzoate	1403596-71-3	C₁₄H₁₈ClNO₂	267.755
——	methyl 5-chloro-3-((cyclopentylmethyl)(methyl)amino)-2-methylbenzoate	1403596-66-6	C₁₆H₂₂ClNO₂	295.809
——	methyl 5-chloro-3-(cyclopentyl(methyl)amino)-2-methylbenzoate	1403595-42-5	C₁₅H₂₀ClNO₂	281.782
——	methyl 5-chloro-3-((cyclopentylmethyl)(ethyl)amino)-2-methylbenzoate	1403596-68-8	C₁₇H₂₄ClNO₂	309.836
——	methyl 5-chloro-3-(cyclohexyl(methyl)amino)-2-methylbenzoate	1403595-39-0	C₁₆H₂₂ClNO₂	295.809
——	methyl 5-chloro-3-(cyclobutyl(ethyl)amino)-2-methylbenzoate	1403596-73-5	C₁₅H₂₀ClNO₂	281.782
——	methyl 5-chloro-2-methyl-3-(methyl((tetrahydro-2H-pyran-4-yl)methyl)amino)benzoate	1403596-76-8	C₁₆H₂₂ClNO₃	311.809
——	methyl 5-chloro-3-(cyclopentanecarboxamido)-2-methylbenzoate	1403595-77-6	C₁₅H₁₈ClNO₃	295.766
——	methyl 5-chloro-2-methyl-3-(methyl(tetrahydro-2H-pyran-4-yl)amino)benzoate	1403595-51-6	C₁₅H₂₀ClNO₃	297.782
——	methyl 5-chloro-3-(cyclopentyl(ethyl)amino)-2-methylbenzoate	1403595-98-1	C₁₆H₂₂ClNO₂	295.809
——	methyl 3-((2-((tert-butoxycarbonyl)amino)ethyl)(methyl)amino)-5-chloro-2-methylbenzoate	1403595-81-2	C₁₇H₂₅ClN₂O₄	356.849
——	methyl 5-chloro-3-(cyclohexyl(ethyl)amino)-2-methylbenzoate	1403595-88-9	C₁₇H₂₄ClNO₂	309.836
——	methyl 5-chloro-3-(ethyl ((tetrahydro-2H-pyran-4-yl)methyl)amino)-2-methylbenzoate	1403596-78-0	C₁₇H₂₄ClNO₃	325.835
——	5-Chloro-2-methyl-3-[methyl(2-methylpropyl)amino]benzoic acid	1403596-62-2	C₁₃H₁₈ClNO₂	255.744
——	methyl 5-chloro-3-(cycloheptyl(ethyl)amino)-2-methylbenzoate	1403595-93-6	C₁₈H₂₆ClNO₂	323.863
——	methyl 3-(allyl(cyclopentyl)amino)-5-chloro-2-methylbenzoate	1403595-83-4	C₁₇H₂₂ClNO₂	307.82
——	5-Chloro-3-[ethyl(2-methylpropyl)amino]-2-methylbenzoic acid	1403596-64-4	C₁₄H₂₀ClNO₂	269.771
——	methyl 5-chloro-3-(ethyl (tetrahydro-2H-pyran-4-yl) amino)-2-methylbenzoate	1403595-90-3	C₁₆H₂₂ClNO₃	311.809
——	methyl 5-chloro-3-[ethyl(1-methylpiperidin-4-yl)amino]-2-methylbenzoate	1403595-33-4	C₁₇H₂₅ClN₂O₂	324.851
——	5-Chloro-3-[cyclopentylmethyl(methyl)amino]-2-methylbenzoic acid	1403596-67-7	C₁₅H₂₀ClNO₂	281.782
——	methyl 3-(allyl(tetrahydro-2H-pyran-4-yl)amino)-5-chloro-2-methylbenzoate	1403596-58-6	C₁₇H₂₂ClNO₃	323.82
——	5-Chloro-3-[cyclobutyl(methyl)amino]-2-methylbenzoic acid	1403596-72-4	C₁₃H₁₆ClNO₂	253.729
——	methyl 5-chloro-2-methyl-3-(N-methylcyclopentanecarboxamido)benzoate	1403597-86-3	C₁₆H₂₀ClNO₃	309.793
——	tert-butyl 4-((5-chloro-3-(methoxycarbonyl)-2-methylphenyl)-amino)-piperidine-1-carboxylate	1403595-31-2	C₁₉H₂₇ClN₂O₄	382.887
——	5-Chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylbenzoic acid	1403596-69-9	C₁₆H₂₂ClNO₂	295.809