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4-Bromo-1-butyne
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Name

4-Bromo-1-butyne

 EINECS N/A
CAS No. 38771-21-0 Density 1.417
PSA 0.00000 LogP 1.40460
Solubility Immiscible with water. Melting Point N/A
Formula C4H5 Br Boiling Point 110 °C
Molecular Weight 132.988 Flash Point 24 ºC
Transport Information N/A Appearance N/A
Safety 36/37-45 Risk Codes R10;R25;R43   
Molecular Structure Molecular Structure of 38771-21-0 (4-BROMO-1-BUTYNE) Hazard Symbols
Synonyms

1-Bromo-3-butyne;4-Bromo-1-butyne

Article Data 9

4-Bromo-1-butyne Synthetic route

927-74-2

1-butyn-4-ol

38771-21-0

4-bromobut-1-yne

Conditions
ConditionsYield
With phosphorus tribromide27%
With pyridine; diethyl ether; phosphorus tribromide
With pyridine; phosphorus tribromide
In phosphorus tribromide; diethyl ether11 g (59%)
With phosphorus tribromide
23418-85-1

3-butyn-1-yl p-toluenesulfonate

38771-21-0

4-bromobut-1-yne

Conditions
ConditionsYield
With ethoxyethoxyethanol; calcium bromide
With lithium bromide In acetone Yield given;
With sodium bromide In acetonitrile
38771-21-0

4-bromobut-1-yne

70978-37-9

1-(azidomethyl)-4-methoxybenzene

1-(4-methoxybenzyl)-4-vinyl-1H-1,2,3-triazole

Conditions
ConditionsYield
Stage #1: 4-bromobut-1-yne; 1-(azidomethyl)-4-methoxybenzene With copper(ll) sulfate pentahydrate; sodium L-ascorbate In ethanol; water at 25℃; for 12h; Green chemistry;
Stage #2: With sodium hydroxide In ethanol; water at 45℃; for 8h; Reagent/catalyst; Temperature; Concentration; Green chemistry;		99%
38771-21-0

4-bromobut-1-yne

1214264-88-6

2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

1620061-24-6

2-(4-bromobut-1-en-2-yl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborinine

Conditions
ConditionsYield
With (1,3-bis(2,6-di-iso-propylphenyl)-4,5-dihydroimidazol-2-ylidene) copper chloride; potassium tert-butylate In tetrahydrofuran; methanol at 50℃; for 3h; Schlenk technique; Inert atmosphere; regioselective reaction;99%
38771-21-0

4-bromobut-1-yne

tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride

tert-butyl 2-(but-3-ynyl)-2,9-diazaspiro[5.5]undecane-9-carboxylate

Conditions
ConditionsYield
Stage #1: tert-butyl 2,9-diazaspiro[5.5]undecane-9-carboxylate hydrochloride With caesium carbonate In acetonitrile at 20℃; for 0.166667h;
Stage #2: 4-bromobut-1-yne In acetonitrile for 18h; Reflux;		98%
With caesium carbonate In acetonitrile for 18h; Reflux;98%
With caesium carbonate In acetonitrile at 60℃;72%
With caesium carbonate In acetonitrile Reflux;13.6 g
38771-21-0

4-bromobut-1-yne

3,5-bis(pentafluorosulfanyl)phenyl azide

1-(3,5-bis(pentafluorosulfanyl)phenyl)-4-(2-bromoethyl)-1H-1,2,3-triazole

Conditions
ConditionsYield
With copper(ll) sulfate pentahydrate; sodium L-ascorbate; benzoic acid In water; tert-butyl alcohol at 20℃; for 0.333333h; Inert atmosphere;98%
38771-21-0

4-bromobut-1-yne

159979-96-1

4-fluorobenzyl azide

1251392-43-4

C11H11BrFN3

Conditions
ConditionsYield
With copper(II) loaded mesoporous SBA-15 In dichloromethane at 20℃; Huisgen Cycloaddition; regioselective reaction;98%
38771-21-0

4-bromobut-1-yne

(2-methylallyl)zinc bromide*LiCl

807329-90-4

(E)-6-chloro-1-iodo-hex-1-ene

(E)-1-(6-chlorohex-1-en-1-yl)-2-(2-methylallyl)cyclobut-1-ene

Conditions
ConditionsYield
Stage #1: 4-bromobut-1-yne With n-butyllithium In tetrahydrofuran at -78 - -30℃; for 0.333333h; Inert atmosphere;
Stage #2: (2-methylallyl)zinc bromide*LiCl In tetrahydrofuran at -30 - 20℃; for 1h; Inert atmosphere;
Stage #3: (E)-6-chloro-1-iodo-hex-1-ene With trifuran-2-yl-phosphane; bis(dibenzylideneacetone)-palladium(0) In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;		98%
38771-21-0

4-bromobut-1-yne

70978-37-9

1-(azidomethyl)-4-methoxybenzene

1431946-51-8

1-methoxybenzyl-5-vinyl-(1H)-1,2,3-triazole

Conditions
ConditionsYield
Stage #1: 4-bromobut-1-yne; 1-(azidomethyl)-4-methoxybenzene With pentamethylcyclopentadienyl bis(triphenylphosphine)ruthenium(II) chloride In 1,4-dioxane at 60℃; for 12h; Inert atmosphere; Green chemistry;
Stage #2: With sodium hydroxide In 1,4-dioxane; ethanol; water at 45℃; for 8h; Reagent/catalyst; Inert atmosphere; Green chemistry;		97%
38771-21-0

4-bromobut-1-yne

766-05-2

cyclohexane carbonitrile

1-(but-3-yn-1-yl)cyclohexane-1-carbonitrile

Conditions
ConditionsYield
Stage #1: cyclohexane carbonitrile With lithium diisopropyl amide In tetrahydrofuran; hexane at -78℃; for 0.5h; Inert atmosphere;
Stage #2: 4-bromobut-1-yne In tetrahydrofuran; hexane at -78 - 24℃; for 14h; Inert atmosphere;		97%

4-Bromo-1-butyne Chemical Properties

Molecule structure of 4-Bromo-1-butyne (CAS NO.38771-21-0):

Systematic Name: 4-Bromobut-1-yne
Molecular Formula: C4H5Br
Molecular Weight 132.99 g/mol 
CAS Registry Number: 38771-21-0 
Index of Refraction: 1.483
Molar Refractivity: 26.14 cm3
Molar Volume: 91.509 cm3
Polarizability: 10.363×10-24 cm3
Surface Tension: 34.904 dyne/cm
Density: 1.453 g/cm3 
Storage temp.: Refrigerator
Flash Point: 32.258 °C
Enthalpy of Vaporization: 34.18 kJ/mol
Boiling Point: 118.322 °C at 760 mmHg
Vapour Pressure: 20.004 mmHg at 25 °C
SMILES: BrCCC#C
InChI: InChI=1/C4H5Br/c1-2-3-4-5/h1H,3-4H2
InChIKey: XLYOGWXIKVUXCL-UHFFFAOYAL
Std. InChI: InChI=1S/C4H5Br/c1-2-3-4-5/h1H,3-4H2
Std. InChIKey: XLYOGWXIKVUXCL-UHFFFAOYSA-N
Product Categories of 4-Bromo-1-butyne (CAS NO.38771-21-0): Acetylenes; Functionalized Acetylenes

4-Bromo-1-butyne Safety Profile

Hazard Codes: ToxicT
Risk Statements: 10-25-43 
R10:Flammable. 
R25 :Toxic if swallowed. 
R43:May cause sensitization by skin contact.
Safety Statements: 36/37-45
S36/37:Wear suitable protective clothing and gloves. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

4-Bromo-1-butyne Specification

 4-Bromo-1-butyne (CAS NO.38771-21-0) is also named as 1-Butyne, 4-bromo-(6CI,9CI) ; 1-Bromo-3-butyne ; 3-Butynyl Bromide .

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