81831

Propargyl bromide solution

purum, ~80% in toluene

• Synonym(s): 3-Bromo-1-propyne
• Linear Formula: HC≡CCH₂Br
• CAS Number: 106-96-7
• Molecular Weight: 118.96
• Beilstein/REAXYS Number: 605309
• MDL number: MFCD00000241
• UNSPSC Code: 12352100
• PubChem Substance ID: 329769220
• NACRES: NA.22

Properties

• grade: purum
• Quality Level: 200
• form: liquid
• contains: ~0.3% magnesium oxide light as stabilizer
• concentration: ~80% in toluene
• density: 1.39 g/mL at 20 °C
• functional group: alkyl halide; bromo
• storage temp.: 2-8°C
• SMILES string: BrCC#C
• InChI: 1S/C3H3Br/c1-2-3-4/h1H,3H2
• InChI key: YORCIIVHUBAYBQ-UHFFFAOYSA-N

Description

General description

The product is 80% solution of propargyl bromide in toluene. Propargyl bromide (3-bromopropyne, C₃H₃Br, or 3BP) possess propargyl group, which is an important three-carbon building block. It participates in the stereoselective propargylation reaction of α-alkoxy aldehydes. It is used to compose a soil fumigant trizone.

Application

Propargyl bromide solution may be used in the synthesis of the following:

• new arabinogalactan propargyl ethers with degree of substitution (DS) up to 2.8, by propargylation of arabino-3,6-galactan
• conjugated polyelectrolyte with polyacetylene as the backbone and pyridinium as side groups, poly(propargyl pyridinium bromide)
• benzodiazepine derivative, 4-phenyl-1-(prop-2-yn-1-yl)-1H-1,5-benzodiazepin-2(3H)-one
• N(3)-propargylated 2′-deoxyuridine, which can be encorporated in the DNA
• chiral oxygenated acyclic natural products, via distereoselective propargylation of α-hydroxy aldehydes

Safety Information

• pictograms: GHS02,GHS06,GHS08,GHS05
• signalword: Danger
• hcodes: H225,H301,H304,H314,H335,H336,H361d,H373
• pcodes: P210 - P280 - P301 + P330 + P331 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Asp. Tox. 1 - Eye Dam. 1 - Flam. Liq. 2 - Repr. 2 - Skin Corr. 1B - STOT RE 2 - STOT SE 3
• target_organs: Central nervous system, Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 64.4 °F - closed cup
• flash_point_c: 18 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter