化学科研者一站式服务平台
化合物简介
3-(Trifluoromethoxy)aniline is reactant in the synthesis of pyrazolone-quinazolone hybrids as human hydroxyphenylpyruvate dioxygenase inhibitors which is a potential treatment for type I tyrosinemia.
基本信息
CAS:1535-73-5
中文别名:3-(三氟甲氧基)苯胺;间三氟甲氧基苯胺;
英文别名:3-(trifluoromethoxy)-aniline;3-(Trifluoromethoxy)benzenamine;3-OCF3-aniline;3-TRIFLUOROMETHOXY-PHENYLAMINE;3-(trifluoromethyloxy)phenylaniline;Between trifluoroMethoxy aniline;M-(TRIFLUOROMETHOXY)ANILINE;α,α,α-Trifluoro-m-anisidine;3-Trifluoromethoxyaniline;
分子式:C7H6F3NO
分子量:177.124
精确质量:177.04
Psa:35.25
Logp:2.7486
中文别名:3-(三氟甲氧基)苯胺;间三氟甲氧基苯胺;
英文别名:3-(trifluoromethoxy)-aniline;3-(Trifluoromethoxy)benzenamine;3-OCF3-aniline;3-TRIFLUOROMETHOXY-PHENYLAMINE;3-(trifluoromethyloxy)phenylaniline;Between trifluoroMethoxy aniline;M-(TRIFLUOROMETHOXY)ANILINE;α,α,α-Trifluoro-m-anisidine;3-Trifluoromethoxyaniline;
分子式:C7H6F3NO
分子量:177.124
精确质量:177.04
Psa:35.25
Logp:2.7486
编号系统
MDL号:MFCD00041511
EINECS号:216-256-3
BRN号:776921
PubChem号:24860708
EINECS号:216-256-3
BRN号:776921
PubChem号:24860708
物化性质
外观与性状:无色液体
密度:1.325g/mLat 25°C(lit.)
沸点:72-73°C8mm Hg(lit.)
闪点:185°F
折射率:n20/D 1.466(lit.)
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:0.41mmHg at 25°C
密度:1.325g/mLat 25°C(lit.)
沸点:72-73°C8mm Hg(lit.)
闪点:185°F
折射率:n20/D 1.466(lit.)
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:0.41mmHg at 25°C
安全信息
安全说明:S26-S27-S36/37/39
WGK Germany:3
危险类别码:R20/21/22; R36/37/38
危险品运输编码:2810
海关编码:29222900
危险品标志:Xn
WGK Germany:3
危险类别码:R20/21/22; R36/37/38
危险品运输编码:2810
海关编码:29222900
危险品标志:Xn
生产方法及用途
合成路线
-
参考文献
ACS Medicinal Chemistry Letters, , vol. 3, # 5 p. 373 - 377
上游原料
下游产品
图谱
Predict 1H proton NMR

13C NMR : Predict

1H NMR : Predict
