3-Bromopropyl isocyanate
1-bromo-3-isocyanatopropane
Also Known As: 3-Bromopropyl isocyanate|1-Bromo-3-isocyanatopropane|3-bromopropylisocyanate|1-Bromo-3-isocyanato-propane|Propane,1-bromo-3-isocyanato-|1-Bromo-3-isocyanatopropane #|J1.255.322F|2-(bromomethyl)-4-chlorothieno[3,2-c]pyridine|I14-114479|633-492-6
CAS: 56017-72-2
| Molecular Formula | C4H6BrNO |
|---|---|
| Molecular Weight | 162.96329 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.96329 |
| Monoisotopic Mass | 162.96329 |
| Heavy Atoms | 7 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 56017-72-2 |
|---|---|
| SMILES | C(CN=C=O)CBr |
| InChIKey | KMDXMJQBNOVBNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (8 patents)
Analytical Reagents (4 patents)
Biotechnology (3 patents)
Catalysts (1 patents)
Heterocyclic Building Blocks (77 patents)
Organic Building Blocks (23 patents)
Organometallic Reagents (2 patents)
Pharmaceutical Intermediates (36 patents)
Plastic Additives (1 patents)
Polymer Intermediates (4 patents)
Product Overview
3-Bromopropyl isocyanate (CAS 56017-72-2), with molecular formula C4H6BrNO and molecular weight 162.96329 g/mol. IUPAC: 1-bromo-3-isocyanatopropane.
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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