427292

1-Bromo-2-butyne

≥98%

• Sinônimo(s): 1-(Bromomethyl)-2-methylacetylene, 2-Butyn-1-yl bromide, 2-Butynyl bromide, 4-Bromobut-2-yne
• Fórmula linear: CH₃C≡CCH₂Br
• Número CAS: 3355-28-0
• Peso molecular: 132.99
• Beilstein: 605306
• Número MDL: MFCD00190233
• Código UNSPSC: 12352100
• ID de substância PubChem: 24866752
• NACRES: NA.22

Propriedades

• Nível de qualidade: 100
• Ensaio: ≥98%
• Formulário: liquid
• índice de refração: n20/D 1.508 (lit.)
• p.e.: 40-41 °C/20 mmHg (lit.)
• densidade: 1.519 g/mL at 25 °C (lit.)
• grupo funcional: alkyl halide; bromo
• cadeia de caracteres SMILES: CC#CCBr
• InChI: 1S/C4H5Br/c1-2-3-4-5/h4H2,1H3
• chave InChI: LNNXOEHOXSYWLD-UHFFFAOYSA-N

Descrição

Descrição geral

1-Bromo-2-butyne is a propargyl bromide derivative. It is one of the constitutional isomer of bromo butyne. Its Br-loss threshold photoionization breakdown diagram has been analyzed to derive dissociative photoionization thresholds to C₄H₅⁺ production. It participates in the preparation of linagliptin.

Aplicação

1-Bromo-2-butyne was used in the alkylation of L-tryptophan methyl ester. It was used as a source to generate CH₃CCCH₂ radicals to investigate the reaction kinetics of these radicals with NO and NO₂.
It may be used in the synthesis of the following:

• 4-butynyloxybenzene sulfonyl chloride
• mono-propargylated diene derivative
• isopropylbut-2-ynylamine
• allenylcyclobutanol derivatives
• allyl-[4-(but-2-ynyloxy)phenyl]sulfane
• allenylindium
• alkynyl alcohols
• axially chiral teranyl compounds

Exploited in the synthesis of axially chiral teranyl compounds.

Informações de segurança

• Pictogramas: GHS02
• Palavra indicadora: Warning
• Frases de perigo: H226
• Classificações de perigo: Flam. Liq. 3
• Código de classe de armazenamento: 3 - Flammable liquids
• Classe de risco de água (WGK): WGK 3
• Ponto de fulgor (°F): 96.8 °F - closed cup
• Ponto de fulgor (°C): 36 °C - closed cup
• Equipamento de proteção individual: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter