4-(Pyrimidin-4-yl)benzonitrile
4-pyrimidin-4-ylbenzonitrile
Also Known As: Benzonitrile,4- -|4-(pyrimidin-4-yl)benzonitrile|4-pyrimidin-4-ylbenzonitrile|4-Pyrimidin-4-yl-benzonitrile|benzonitrile, 4-(4-pyrimidinyl)-|4-(4-CYANOPHENYL)PYRIMIDINE|ASN 15385779|Benzonitrile, 4-(4-pyrimidinyl)- (9CI)
CAS: 879063-33-9
| Molecular Formula | C11H7N3 |
|---|---|
| Molecular Weight | 181.064 g/mol |
| LogP | 2.01528 |
| Topological Polar Surface Area | 49.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.064 |
| Monoisotopic Mass | 181.064 |
| Heavy Atoms | 14 |
| Complexity | 454.14136 |
Chemical Identifiers
| CAS Number | 879063-33-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C#N)C2=NC=NC=C2 |
Product Overview
4-(Pyrimidin-4-yl)benzonitrile (CAS 879063-33-9), with molecular formula C11H7N3 and molecular weight 181.064 g/mol. IUPAC: 4-pyrimidin-4-ylbenzonitrile.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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