4-Phenylbutyronitrile
4-phenylbutanenitrile
CAS: 2046-18-6
| Molecular Formula | C10H11N |
|---|---|
| Molecular Weight | 145.2 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 23.8 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 145.08914 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 2046-18-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC#N |
| InChIKey | ICMVGKQFVMTRLB-UHFFFAOYSA-N |
📖 Product Overview
4-Phenylbutyronitrile (CAS: 2046-18-6) is a chemical compound with molecular formula C10H11N and molecular weight 145.2 g/mol. Its IUPAC systematic name is 4-phenylbutanenitrile.
ICMVGKQFVMTRLB-UHFFFAOYSA-N.
SMILES: C1=CC=C(C=C1)CCCC#N.
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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Frequently Asked Questions
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What documentation do you provide with the product?
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📚 Academic Support
Scientific research papers and technical documentation supporting this product for informed procurement decisions.
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