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

Base Information

• Chemical Name: 3-(6-Chloro-5-fluoropyrimidin-4-YL)-2-(2,4-difluorophenyl)-1-[1,2,4]triazol-1-YL-butan-2-OL
• CAS No.: 137234-75-4
• Molecular Formula: C16H13ClF3N5O
• Molecular Weight: 383.76
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID50452818
• ChEMBL ID: CHEMBL292283
• Mol file: 137234-75-4.mol

Synonyms:137234-75-4;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-(1h-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;(trans)-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);SCHEMBL824159;CHEMBL292283;DTXSID50452818;BQDLXFABVRRDFU-UHFFFAOYSA-N;BCP04243;4,4-DIMETHYLTETRATHIAFULVALENE;AKOS015895289;4-Pyrimidineethanol, 6-chloro-a-(2,4-difluorophenyl)-5-fluoro-b-methyl-a-(1H-1,2,4-triazol-1-ylmethyl)-;AC-24019;FT-0655289;FT-0655583;F87221;J-012141;3-(4-Chloro-5-fluoropyrimidin-6-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol;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-fluoro-4-pyrimidinyl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol;3-(6-chloro-5-fluoropyrimidin-4-yl)-2-(2,4-difluorophenyl)-1-[1,2,4]triazol-1-ylbutan-2-ol;6-Chloro-alpha-(2,4-difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol

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

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.629
• Boiling Point: 529.851 °C at 760 mmHg
• PKA: 11.44±0.29(Predicted)
• Flash Point: 274.244 °C
• PSA: 76.72000
• Density: 1.511 g/cm³
• LogP: 2.83030
• Storage Temp.: 2-8°C
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 383.0760722
• Heavy Atom Count: 26
• Complexity: 481

Purity/Quality:

99% ^*data from raw suppliers

trans-3-(6-Chloro-5-fluoropyrimidin-4-yl)-2-(2,4-di-fluorophenyl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=C(C(=NC=N1)Cl)F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O