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427292

1-Bromo-2-butyne

≥98%

Synonym(s):

1-(Bromomethyl)-2-methylacetylene, 2-Butyn-1-yl bromide, 2-Butynyl bromide, 4-Bromobut-2-yne

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About This Item

Linear Formula:
CH3C≡CCH2Br
CAS Number:
3355-28-0
Molecular Weight:
132.99
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24866752
MDL number:
MFCD00190233
Beilstein/REAXYS Number:
605306
Assay:
≥98%
Form:
liquid
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Quality Segment

100

assay

≥98%

form

liquid

refractive index

n20/D 1.508 (lit.)

bp

40-41 °C/20 mmHg (lit.)

density

1.519 g/mL at 25 °C (lit.)

functional group

alkyl halide, bromo

SMILES string

CC#CCBr

InChI

1S/C4H5Br/c1-2-3-4-5/h4H2,1H3

InChI key

LNNXOEHOXSYWLD-UHFFFAOYSA-N

General description

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.

Application

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.

pictograms

Flame
GHS02

signalword

Warning

hcodes

H226

Hazard Classifications

Flam. Liq. 3

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

96.8 °F - closed cup

flash_point_c

36 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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