Ethyl 4-(pyrimidin-5-yl)benzoate

Base Information

• Chemical Name: Ethyl 4-(pyrimidin-5-yl)benzoate
• CAS No.: 82525-18-6
• Molecular Formula: C13H12N2O2
• Molecular Weight: 228.25
• DSSTox Substance ID: DTXSID20513607
• Nikkaji Number: J2.247.307G
• Wikidata: Q82373511
• Mol file: 82525-18-6.mol

Synonyms:ethyl 4-(pyrimidin-5-yl)benzoate;82525-18-6;ethyl 4-pyrimidin-5-ylbenzoate;4-PYRIMIDIN-5-YL-BENZOIC ACID ETHYL ESTER;SCHEMBL2998358;ethyl4-(pyrimidin-5-yl)benzoate;DTXSID20513607;JLVURWFSACDGNK-UHFFFAOYSA-N;4-pyrimidine-5-yl-benzoic acid ethyl ester;FT-0706559

Chemical Property of Ethyl 4-(pyrimidin-5-yl)benzoate

Chemical Property:

• Boiling Point: 383.989 °C at 760 mmHg
• Flash Point: 186.03 °C
• PSA: 52.08000
• Density: 1.167 g/cm³
• LogP: 2.32030
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 228.089877630
• Heavy Atom Count: 17
• Complexity: 244

Purity/Quality:

98% ^*data from raw suppliers

ETHYL-4-PYRIMIDIN-5-YL-BENZOATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=CC=C(C=C1)C2=CN=CN=C2