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| CAS No.: | 23074-36-4 |
|---|---|
| Name: | 2-BROMO-1-BUTENE |
| Article Data: | 12 |
| Molecular Structure: | |
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| Formula: | C4H7Br |
| Molecular Weight: | 135.004 |
| Synonyms: | 2-Bromo-1-butene;2-Bromobutene; |
| EINECS: | 245-412-3 |
| Density: | 1.315 g/cm3 |
| Melting Point: | -133.4°C |
| Boiling Point: | 88 °C at 760 mmHg |
| Flash Point: | 11.6 °C |
| Solubility: | Soluble in ethanol, acetone and benzene. Not miscible in water. |
| Risk Codes: | 10 |
| Safety: | 3/7-9-16-29-33 |
| PSA: | 0.00000 |
| LogP: | 2.30500 |
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Specification
The 1-Butene, 2-bromo-, with the CAS registry number 23074-36-4, is also known as 2-Bromo-1-butene. Its EINECS registry number is 245-412-3. This chemical's molecular formula is C4H7Br and molecular weight is 135. What's more, both its IUPAC name and systematic name are the same which is called 2-Bromobut-1-ene.
Physical properties about 1-Butene, 2-bromo- are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.14; (6)ACD/BCF (pH 7.4): 65.14; (7)ACD/KOC (pH 5.5): 691.74; (8)ACD/KOC (pH 7.4): 691.74; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 27.88 cm3; (15)Molar Volume: 102.6 cm3; (16)Surface Tension: 24.6 dyne/cm; (17)Density: 1.315 g/cm3; (18)Flash Point: 11.6 °C; (19)Enthalpy of Vaporization: 31.45 kJ/mol; (20)Boiling Point: 88 °C at 760 mmHg; (21)Vapour Pressure: 70.1 mmHg at 25 °C.
Preparation of 1-Butene, 2-bromo-: this chemical can be prepared by But-1-yne. This reaction needs reagents HBr, Et4NBr and solvent CH2Cl2 at ambient temperature. The reaction time is 2 hours. The yield is 62 %.
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Uses of 1-Butene, 2-bromo-: it is used to produce other chemicals. For example, it is used to produce 2-Ethyl-acrylic acid. The reaction occurs with reagent NBu4Br and catalyzer NibpyBr2 at ambient temperature. The yield is 30 %.
When you are dealing with this chemical, you should be very careful. This chemical is flammable. Therefore, you should keep container tightly closed in a cool and well-ventilated place and it should keep away from sources of ignition. In addition, you could take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1) SMILES: Br/C(=C)CC
(2) InChI: InChI=1/C4H7Br/c1-3-4(2)5/h2-3H2,1H3
(3) InChIKey: HQMXRIGBXOFKIU-UHFFFAOYAJ