Bromocyanoacetylene
3-bromoprop-2-ynenitrile
Also Known As: Bromocyanoacetylene|BrC.equiv.CCN|3-bromoprop-2-ynenitrile|Propiolonitrile, bromo-|3-Bromo-2-propynenitrile|2-Bromo-1-ethynecarbonitrile|2-Propynenitrile, 3-bromo-|2-Propynenitrile,3-bromo- (9CI)
CAS: 3114-46-3
| Molecular Formula | C3BrN |
|---|---|
| Molecular Weight | 128.92142 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.92142 |
| Monoisotopic Mass | 128.92142 |
| Heavy Atoms | 5 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 3114-46-3 |
|---|---|
| SMILES | C(#CBr)C#N |
| InChIKey | NGGPAYDRGCXCBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (8 patents)
Pharmaceutical Intermediates (1 patents)
Product Overview
Bromocyanoacetylene (CAS 3114-46-3), with molecular formula C3BrN and molecular weight 128.92142 g/mol. IUPAC: 3-bromoprop-2-ynenitrile.
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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