3-Bromo-1-butyne - CAS 18668-72-9

Catalog:	BB014365
Product Name:	3-Bromo-1-butyne
CAS:	18668-72-9
Synonyms:	1-Butyne, 3-bromo-; 1-Methylpropargyl bromide; 2-Bromo-3-butyne; 3-Bromobutyne; 3-Butyn-2-yl bromide

Technical Data

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Computed Properties

Related CAS:	113647-42-0 (Deleted CAS)
IUPAC Name:	3-bromobut-1-yne
Description:	3-Bromo-1-butyne (CAS# 18668-72-9) is a useful research chemical compound.
Molecular Weight:	132.99
Molecular Formula:	C4H5Br
Canonical SMILES:	CC(C#C)Br
InChI:	InChI=1S/C4H5Br/c1-3-4(2)5/h1,4H,2H3
InChI Key:	PYJVGTWBTIEAMV-UHFFFAOYSA-N
Boiling Point:	51°C at 180 Torr
Purity:	≥95%
Density:	1.447±0.06 g/cm3
Appearance:	Liquid
Storage:	Store at 2-8°C
LogP:	1.40300

Publication Number	Title	Priority Date
CN-112479843-A	Preparation method of 5-methyl-3-cyclohexenone and application thereof in preparation of m-cresol	20201203
WO-2021018858-A1	6,7-dihydro-5h-pyrido[2,3-c]pyridazine derivatives and related compounds as bcl-xl protein inhibitors and pro-apoptotic agents for treating cancer	20190729
WO-2020223672-A1	Functionalized cyclic polymers and methods of preparing same	20190501
US-2020290998-A1	Novel imidazole-pyrazole derivatives	20190308
TW-202100522-A	Novel imidazole-pyrazole derivatives	20190308

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[2978-58-7]
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[2166539-35-9]
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[51721-39-2]
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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P312, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

Complexity:	57.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.95746
Formal Charge:	0
Heavy Atom Count:	5
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.95746
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5