3-(6-Chloro-5-fluoropyrimidin-4-YL)-2-(2,4-difluorophenyl)-1-[1,2,4]triazol-1-YL-butan-2-OL（CAS号：137234-75-4）

反式-6-氯-alpha-(2,4-二氟苯基)-5-氟-beta-甲基-alpha-(1H-1,2,4-三唑-1-基甲基)-4-嘧啶乙醇

基本信息

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CAS号

137234-75-4

分子式

C16H13ClF3N5O

分子量

383.75 g/mol

化学分类

基础化工原料有机化学品杂环化合物

医药化工医药中间体杂环中间体

精细化工产品专用化学品紫外线稳定剂

农用化学品农药除草剂

基本物理性质

折射率

1.62

SMILES

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CC(C1=C(C(=NC=N1)Cl)F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O

InChI

InChI=1S/C16H13ClF3N5O/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19/h2-4,6-9,26H,5H2,1H3

InChIKey

BQDLXFABVRRDFU-UHFFFAOYSA-N

LogP

2.8303000000000016

拓扑极性表面积

76.72 Å²

氢键供体/受体

1 / 6

复杂度

481

安全信息

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危险说明

H315 造成皮肤刺激
皮肤腐蚀/刺激

H319 造成严重眼刺激
严重眼损伤/眼刺激

H335 可能造成呼吸道刺激
特定目标器官毒性-单次接触；呼吸道刺激

同义词与引用数据

英文

4-Pyrimidineethanol, 6-chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-
3-(4-Chloro-5-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1h-1,2,4-triazol-1-yl)butan-2-ol
DTXSID50452818
3-(6-Chloro-5-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol
4-Pyrimidineethanol, 6-chloro-a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-
(trans)-6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)
FT-0655583
rac-6-Chloro Voriconazole
J-012141
137234-75-4
AKOS015895289
AC-24019
BCP04243
SCHEMBL824159
6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
(trans)-6-chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1h-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
FT-0655289
4,4-DIMETHYLTETRATHIAFULVALENE
NS00040869
F87221
3-(4-chloro-5-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazole-1-yl)butan-2-ol
3-(6-CHLORO-5-FLUOROPYRIMIDIN-4-YL)-2-(2,4-DIFLUOROPHENYL)-1-(1,2,4-TRIAZOL-1-YL)BUTAN-2-OL
3-(6-CHLORO-5-FLUOROPYRIMIDIN-4-YL)-2-(2,4-DIFLUOROPHENYL)-1-[1,2,4]TRIAZOL-1-YL-BUTAN-2-OL
CHEMBL292283
BQDLXFABVRRDFU-UHFFFAOYSA-N
(trans)-6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
(2R,3S)-rel-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
4-Pyrimidineethanol, 6-chloro-.alpha.-(2,4-difluorophenyl)-5-fluoro-.beta.-methyl-.alpha.-(1H-1,2,4-triazol-1-ylmethyl)-, (R*,S*)-
trans-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-di-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
2S,3R)-3-(4-chloro-5-fluoro-6-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol