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| CAS No.: | 38771-21-0 |
|---|---|
| Name: | 4-BROMO-1-BUTYNE |
| Article Data: | 9 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H5 Br |
| Molecular Weight: | 132.988 |
| Synonyms: | 1-Bromo-3-butyne;4-Bromo-1-butyne |
| Density: | 1.417 |
| Boiling Point: | 110 °C |
| Flash Point: | 24 ºC |
| Solubility: | Immiscible with water. |
| Hazard Symbols: |
|
| Risk Codes: | R10;R25;R43 |
| Safety: | 36/37-45 |
| PSA: | 0.00000 |
| LogP: | 1.40460 |
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1-butyn-4-ol
- 38771-21-0
4-bromobut-1-yne
| Conditions | Yield |
|---|---|
| With phosphorus tribromide | 27% |
| With pyridine; diethyl ether; phosphorus tribromide | |
| With pyridine; phosphorus tribromide | |
| In phosphorus tribromide; diethyl ether | 11 g (59%) |
| With phosphorus tribromide |
- 23418-85-1
3-butyn-1-yl p-toluenesulfonate
- 38771-21-0
4-bromobut-1-yne
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| With copper(ll) sulfate pentahydrate; sodium L-ascorbate; benzoic acid In water; tert-butyl alcohol at 20℃; for 0.333333h; Inert atmosphere; | 98% |
| Conditions | Yield |
|---|---|
| With copper(II) loaded mesoporous SBA-15 In dichloromethane at 20℃; Huisgen Cycloaddition; regioselective reaction; | 98% |
- 38771-21-0
4-bromobut-1-yne
- 807329-90-4
(E)-6-chloro-1-iodo-hex-1-ene
| Conditions | Yield |
|---|---|
| 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 | Yield |
|---|---|
| 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
| Conditions | Yield |
|---|---|
| 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% |
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Chemistry
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
Safety Profile
Hazard Codes: 
T
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.)
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 .