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

3-(6-Chloro-5-fluoropyrimidin-4-YL)-2-(2,4-difluorophenyl)-1-[1,2,4]triazol-1-YL-butan-2-OL

基本情報

編集器で閲覧

CAS番号

137234-75-4

分子式

C16H13ClF3N5O

分子量

383.75 g/mol

化学分類

基礎化学原料有機化学品複素環化合物

医薬化学品医薬中間体複素環中間体

精密化学品特殊化学品紫外線安定剤

農業化学品農薬除草剤

基本的な物理特性

屈折率

1.62

SMILES

編集器で閲覧

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

トポロジカル極性表面積

76.72 Å²

水素結合ドナー/アクセプター

1 / 6

複雑度

481

安全情報

安全情報を表示

危険性の表示

H315 皮膚刺激
皮膚腐食性/刺激性

H319 強い眼刺激
眼に対する重篤な損傷性/眼刺激性

H335 呼吸器への刺激のおそれ
特定標的臓器毒性（単回ばく露）；気道刺激性

同義語と引用データ

英語

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