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化合物简介
3-(Trifluoromethyl)benzaldehyde is used as a reagent in the synthesis of 2,3-di- and 2,2,3-trisubstituted-3-methoxycarbonyl-γ-butyrolactones as potent antitumor agents. Also used as a reagent in the synthesis of novel chalcone derivatives as hypoxia-inducible factor (HIF)-1 inhibitors.
基本信息
CAS:454-89-7
中文别名:间三氟甲基苯甲醛;3-(三氟甲基)苯甲醛;α,α,α-三氟间甲苯甲醛;
英文别名:m-trifluorotolualdehyde;3-TRIFLUOROMETHYLBENZYLDEHYDE;3-(trifluoromethyl)-benzaldehyd;α,α,α-Trifluoro-m-tolualdehyde;m-Trifuoromethylbenzaldehyde;3-(trifluoromethyl)-benzaldehyde;3-TRIFLUORMETHYLBENZALDEHYDE;3-trifluoromethylbenzaldehye;MTF-BAD;M-TRIFLUOROMETHYLBENZALDEHYDE;3-trifluromethyl-benzaldehyde;A,A,A-TRIFLUORO-M-TOLUALDEHYDE;A,A,A-TRIFLUORO-3-TOLUALDEHYDE;
分子式:C8H5F3O
分子量:174.12
精确质量:174.029
Psa:17.07
Logp:2.5179
中文别名:间三氟甲基苯甲醛;3-(三氟甲基)苯甲醛;α,α,α-三氟间甲苯甲醛;
英文别名:m-trifluorotolualdehyde;3-TRIFLUOROMETHYLBENZYLDEHYDE;3-(trifluoromethyl)-benzaldehyd;α,α,α-Trifluoro-m-tolualdehyde;m-Trifuoromethylbenzaldehyde;3-(trifluoromethyl)-benzaldehyde;3-TRIFLUORMETHYLBENZALDEHYDE;3-trifluoromethylbenzaldehye;MTF-BAD;M-TRIFLUOROMETHYLBENZALDEHYDE;3-trifluromethyl-benzaldehyde;A,A,A-TRIFLUORO-M-TOLUALDEHYDE;A,A,A-TRIFLUORO-3-TOLUALDEHYDE;
分子式:C8H5F3O
分子量:174.12
精确质量:174.029
Psa:17.07
Logp:2.5179
编号系统
MDL号:MFCD00003373
EINECS号:207-228-1
EINECS号:207-228-1
物化性质
外观与性状:透明非常淡橙色
密度:1.301g/mLat 25°C(lit.)
沸点:83-86°C30mm Hg(lit.)
闪点:155°F
折射率:n20/D 1.465(lit.)
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere.
蒸汽压:3.05mmHg at 25°C
密度:1.301g/mLat 25°C(lit.)
沸点:83-86°C30mm Hg(lit.)
闪点:155°F
折射率:n20/D 1.465(lit.)
稳定性:Stable at room temperature in closed containers under normal storage and handling conditions.
储存条件:Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store under an inert atmosphere.
蒸汽压:3.05mmHg at 25°C
安全信息
安全说明:S26-S36
WGK Germany:3
危险类别码:R36/37/38
海关编码:2913000090
危险品标志:Xi
WGK Germany:3
危险类别码:R36/37/38
海关编码:2913000090
危险品标志:Xi
生产方法及用途
用途
医药、农药中间体。
医药、农药中间体。
合成路线
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict

13C NMR : in CDCl3

1H NMR : 400 MHz in CDCl3

Mass spectrum (electron ionization)

Mass

IR : liquid film
