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化合物简介
2-Bromo-5-chlorotoluene is a reagent used in the synthesis of morpholylureas as a new class of potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehrydogenase (AKR1C3). Also used as a reagent in the synthesis of a series of aminopiperidines as novel iNOS inhibitors.
基本信息
CAS:14495-51-3
中文别名:1-溴-4-氯-2-甲基苯;
英文别名:Benzene, 1-bromo-4-chloro-2-methyl-;1-Bromo-4-Chloro-2-Methylbenzene;1-Bromo-4-chloro-2-methylbenzene;
分子式:C7H6BrCl
分子量:205.48
精确质量:203.934
Psa:0.0
Logp:3.4109
中文别名:1-溴-4-氯-2-甲基苯;
英文别名:Benzene, 1-bromo-4-chloro-2-methyl-;1-Bromo-4-Chloro-2-Methylbenzene;1-Bromo-4-chloro-2-methylbenzene;
分子式:C7H6BrCl
分子量:205.48
精确质量:203.934
Psa:0.0
Logp:3.4109
编号系统
BRN号:2500157
EINECS号:238-503-4
MDL号:MFCD00000602
PubChem号:24855860
EINECS号:238-503-4
MDL号:MFCD00000602
PubChem号:24855860
物化性质
外观与性状:透明无色液体
密度:1.543g/mLat 25°C(lit.)
沸点:98-100 °C (25 mmHg)
闪点:204°F
折射率:n20/D 1.575(lit.)
水溶解性:INSOLUBLE
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
蒸汽压:0.179mmHg at 25°C
密度:1.543g/mLat 25°C(lit.)
沸点:98-100 °C (25 mmHg)
闪点:204°F
折射率:n20/D 1.575(lit.)
水溶解性:INSOLUBLE
稳定性:Stable under normal temperatures and pressures.
储存条件:Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
蒸汽压:0.179mmHg at 25°C
安全信息
安全说明:S26-S36-S37/39
WGK Germany:3
危险类别码:R36/37/38
海关编码:2903999090
危险品标志:Xi
WGK Germany:3
危险类别码:R36/37/38
海关编码:2903999090
危险品标志:Xi
生产方法及用途
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图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

1H NMR : parameter in CS2

Mass spectrum (electron ionization)

Mass

IR : liquid film
