Crotonaldehyde, 2-bromo-3-methyl-
2-bromo-3-methylbut-2-enal
Also Known As: 2-bromo-3-methylbut-2-enal|2-Bromo-3-methylcrotonaldehyde|Crotonaldehyde, 2-bromo-3-methyl-|2-bromo-3-methyl-2-butenal|alpha-bromo-beta-methyl-crotonaldehyde|J2.522.962B
CAS: 31058-93-2
| Molecular Formula | C5H7BrO |
|---|---|
| Molecular Weight | 161.96803 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.96803 |
| Monoisotopic Mass | 161.96803 |
| Heavy Atoms | 7 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 31058-93-2 |
|---|---|
| SMILES | CC(=C(C=O)Br)C |
| InChIKey | QPXZIWMBYOJZCG-UHFFFAOYSA-N |
Product Overview
Crotonaldehyde, 2-bromo-3-methyl- (CAS 31058-93-2), with molecular formula C5H7BrO and molecular weight 161.96803 g/mol. IUPAC: 2-bromo-3-methylbut-2-enal.
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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