4-Bromo-1-butyne
ALDRICH/675725 - 97%
Synonym: 1-Bromo-3-butyne
CAS Number: 38771-21-0
Empirical Formula (Hill Notation): C4H5Br
Molecular Weight: 132.99
MDL Number: MFCD10000883
Linear Formula: C4H5Br
Product Type: Chemical
| assay | 97% |
| density | 1.417 g/mL at 25 °C |
| InChI | 1S/C4H5Br/c1-2-3-4-5/h1H, |
| InChI key | XLYOGWXIKVUXCL-UHFFFAOYSA |
| refractive index | n |
| SMILES string | BrCCC#C |
| Application: | 4-Bromo-1-butyne is used as a reactant in the synthesis of: • Macrocycles by cobalt-mediated [2+2+2] co-cyclotrimerization. • 2,4,5-trisubstituted oxazoles by a gold-catalyzed formal [3+2] cycloaddition. • Intramolecular 1,3-dipolar cycloaddition to synthesize 1,3,4-oxadiazoles. • Lactones bearing alkynes for reductive cyclization in the preparation of azulene derivatives. • Substituted α-pyrones by gold-catalyzed coupling reactions. |
| General description: | 4-Bromo-1-butyne is commonly used as a reactant. It serves as a source of alkyl halides for the introduction of bromo functionality into the molecule. |
| Packaging: | 5 g in glass bottle |
| Symbol |   GHS02,GHS06 |
| Signal word | Danger |
| Hazard statements | H226 - H301 - H317 |
| Precautionary statements | P210 - P280 - P301 + P310 + P330 - P302 + P352 |
| Hazard Codes | T |
| Risk Statements | 10-25-43 |
| Safety Statements | 36/37-45 |
| RIDADR | UN 1992 6.1(3) / PGIII |
| WGK Germany | WGK 3 |
| Flash Point(F) | 75.0 °F |
| Flash Point(C) | 23.9 °C |
| Purity | 97% |
| Density | 1.417 g/mL at 25 °C |
| Refractive Index | n |
| UNSPSC | 12352100 |