4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol

Base Information

• Chemical Name: 4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol
• CAS No.: 213690-49-4
• Molecular Formula: C₁₅H₁₁BrN₂O
• Molecular Weight: 315.169
• DSSTox Substance ID: DTXSID80425277
• Wikidata: Q82238090
• ChEMBL ID: CHEMBL1724735
• Mol file: 213690-49-4.mol

Synonyms:213690-49-4;4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol;Phenol,4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)-;4-BROMO-2-(2-PHENYLPYRAZOL-3-YL)PHENOL;5-(5-BROMO-2-HYDROXYPHENYL)-1-PHENYLPYRAZOLE;MLS001178929;CHEMBL1724735;SCHEMBL13522939;DTXSID80425277;HMS2842B17;AKOS027379134;SMR000477410;AN-829/36496001;(6Z)-4-bromo-6-(2-phenyl-1H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one;4-Bromo-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one

Chemical Property of 4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol

Chemical Property:

• Boiling Point: 436.1 °C at 760 mmHg
• PKA: 8.95±0.43(Predicted)
• Flash Point: 217.6 °C
• PSA: 38.05000
• Density: 1.47 g/cm³
• LogP: 4.00740
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 314.00548
• Heavy Atom Count: 19
• Complexity: 296

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)N2C(=CC=N2)C3=C(C=CC(=C3)Br)O