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Cas Database |
| Name |
4-Bromo-1-butene |
EINECS | 225-937-4 |
| CAS No. | 5162-44-7 | Density | 1.312 g/cm3 |
| PSA | 0.00000 | LogP | 1.95740 |
| Solubility | Miscible with water, benzene, ether and ethanol. | Melting Point |
-115.07°C (estimate) |
| Formula | C4H7Br | Boiling Point | 99.3 °C at 760 mmHg |
| Molecular Weight | 135.004 | Flash Point | 9.4 °C |
| Transport Information | UN 1993 3/PG 2 | Appearance | colourless liquid |
| Safety | 26-36/37/39 | Risk Codes | 11-36/37-42/43 |
| Molecular Structure |
|
Hazard Symbols |
 F,  Xn,  Xi
|
| Synonyms |
1-Bromo-3-butene;3-Butenyl bromide;4-Bromobutene-1;Allylcarbinyl bromide;Homoallyl bromide; |
Article Data | 44 |
4-Bromo-1-butene Synthetic route
| Conditions | Yield |
|---|---|
| With lithium bromide In acetone for 1h; Heating; | 98% |
| Conditions | Yield |
|---|---|
| With N,N,N,N,N,N-hexamethylphosphoric triamide at 200 - 210℃; | 97% |
| With N,N,N,N,N,N-hexamethylphosphoric triamide at 210℃; | 95% |
| With N,N,N,N,N,N-hexamethylphosphoric triamide for 1h; Heating; | 82% |
- 38771-21-0
4-bromobut-1-yne
- 5162-44-7
1-bromo-4-butene
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In hexane at 40℃; | 90% |
- 13287-42-8
(2-bromoethyl)oxirane
- 6773-29-1
dimethyl diazomalonate
A
- 5162-44-7
1-bromo-4-butene
B
- 3298-40-6
mesoxalate de methyle
| Conditions | Yield |
|---|---|
| With dirhodium tetraacetate In toluene for 0.75h; Heating; | A 84% B n/a |
| Conditions | Yield |
|---|---|
| With phosphorus tribromide In pyridine | 80% |
| With pyridine; phosphorus tribromide In neat (no solvent) at 0 - 20℃; for 2h; Inert atmosphere; Schlenk technique; | 74% |
| With pyridine; phosphorus tribromide at 0℃; |
| Conditions | Yield |
|---|---|
| With phosphorus tribromide | 73% |
| Conditions | Yield |
|---|---|
| With C50H44Au2P4(2+)*2C2F6NO4S2(1-) In water; acetonitrile for 0.166667h; Inert atmosphere; Sealed tube; UV-irradiation; | 72% |
| Conditions | Yield |
|---|---|
| With NbCl3(N,N′-bis-(2,6-diisopropylphenyl)-1,4-diaza-2,3-dimethyl-1,3-butadiene) In benzene-d6 at 120℃; for 14h; Catalytic behavior; Inert atmosphere; Schlenk technique; Glovebox; | A 59% B 33% |
- 186581-53-3, 908094-01-9
diazomethane
- 106-95-6
allyl bromide
A
- 5162-44-7
1-bromo-4-butene
B
- 7051-34-5
cyclopropylcarbinyl bromide
| Conditions | Yield |
|---|---|
| With copper(I) chloride * phenylphosphite at -20 - -10℃; | A 58% B 1.2% |
| Conditions | Yield |
|---|---|
| With hydrogen bromide at 0℃; | |
| With phosphorus tribromide | |
| With hydrogen bromide |
4-Bromo-1-butene Chemical Properties
Product Name: 4-Bromo-1-butene (CAS NO.5162-44-7)
Molecular formula: C4H7Br
Molecular Weight: 135
EINECS: 225-937-4
Boiling point: 98-100 °C(lit.)
Flash point: 49 °F
Density: 1.33 g/mL at 25 °C(lit.)
Refractive index: n20/D 1.462(lit.)
Storage temp.: 2-8°C
Sensitive: Light Sensitive
Index of Refraction: 1.457
Molar Refractivity: 28.03 cm3
Molar Volume: 102.8 cm3
XLogP3-AA: 2.1
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 4-Bromo-1-butene (CAS NO.5162-44-7):
IUPAC Name: 4-bromobut-1-ene
Canonical SMILES: C=CCCBr
InChI: InChI=1S/C4H7Br/c1-2-3-4-5/h2H,1,3-4H2
InChIKey: DMAYBPBPEUFIHJ-UHFFFAOYSA-N
Product Categories: Halides; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; omega-Unsaturated Halides; Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks
4-Bromo-1-butene Uses
4-Bromo-1-butene (CAS NO.5162-44-7) is used for drug intermediates.
4-Bromo-1-butene Consensus Reports
4-Bromo-1-butene (CAS NO.5162-44-7) is reported in EPA TSCA Inventory.
4-Bromo-1-butene Safety Profile
Safety Information of 4-Bromo-1-butene (CAS NO.5162-44-7):
Hazard Codes: F
, Xn
,Xi
Xi
Risk Statements information:
11: Highly Flammable
36/37: Irritating to eyes and respiratory system
42/43: May cause sensitization by inhalation and skin contact
Safety Statements information:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
F: 8-19
HazardClass: 3
PackingGroup: II
HS Code: 29033036
RIDADR: UN 1993 3/PG 2
WGK Germany: 3
A dangerous fire hazard (flash point <1°C). Violent reaction with chloromethylphenylsilane + chloroplatinic acid. When heated to decomposition it emits toxic fumes of Br−.
4-Bromo-1-butene Specification
4-Bromo-1-butene , its CAS NO. is 5162-44-7, the synonyms are 4-bromobut-1-ene ; 4-Bromobutene ; 4-Bromobutene-(1) ; Homoallyl bromide ; 4-bromo-1-buten ; 4-bromo-but-1-ene ; 1-Bromo-3-butene;1-butene,4-bromo- .
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