3-Bromobutyronitrile
3-bromobutanenitrile
Also Known As: 3-Bromobutyronitrile|3-Bromobutanenitrile|Butanenitrile, 3-bromo-|2-Bromopropyl Cyanide|3-Bromobutanenitrile #|ACMC-1CG5R|BROMOCRESOLGREENSODIUMSALT|3-bromobutyronitrile, AldrichCPR|MBXSHBIQMDKTEW-UHFFFAOYSA-|I14-107855|677-995-9
CAS: 20965-20-2
| Molecular Formula | C4H6BrN |
|---|---|
| Molecular Weight | 146.96835 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 146.96835 |
| Monoisotopic Mass | 146.96835 |
| Heavy Atoms | 6 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 20965-20-2 |
|---|---|
| SMILES | CC(CC#N)Br |
| InChIKey | MBXSHBIQMDKTEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Analytical Reagents (3 patents)
Biotechnology (6 patents)
Heterocyclic Building Blocks (66 patents)
Organic Building Blocks (12 patents)
Pharmaceutical Intermediates (21 patents)
Polymer Intermediates (2 patents)
Product Overview
3-Bromobutyronitrile (CAS 20965-20-2), with molecular formula C4H6BrN and molecular weight 146.96835 g/mol. IUPAC: 3-bromobutanenitrile.
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.
View MSDS →
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