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Name |
1,2-Butadiene |
EINECS | 209-674-2 |
CAS No. | 590-19-2 | Density | 0.612 g/cm3 |
PSA | 0.00000 | LogP | 1.34740 |
Solubility | Soluble in ethanol, ether and benzene, insoluble in water | Melting Point |
-136.2oC |
Formula | C4H6 | Boiling Point | 10.7 °C at 760 mmHg |
Molecular Weight | 54.0916 | Flash Point | N/A |
Transport Information | UN 2037 2.1 | Appearance | colorless gas |
Safety | 16-23-24/25 | Risk Codes | 12 |
Molecular Structure | Hazard Symbols | F+ | |
Synonyms |
1-Methylallene;Allene, methyl-;Butadiene-1,2;Methylallene; |
Article Data | 92 |
3-methylpent-4-yn-2-ol
2,3-dimethylbutene
Conditions | Yield |
---|---|
at 660℃; under 0.001 Torr; | 98% |
Methylcyclopropen
A
dimethylacetylene
B
2,3-dimethylbutene
C
buta-1,3-diene
Conditions | Yield |
---|---|
With sulphur hexafluoride at 230.2℃; under 20.5 Torr; for 1.5h; Product distribution; Rate constant; Kinetics; var. time, var. pressure; | A 91.31% B 1.84% C 6.85% |
Product distribution; Quantum yield; Irradiation; | |
In gas under 0.1 - 6 Torr; Mechanism; Product distribution; Irradiation; |
3-chloro-but-1-yne
2,3-dimethylbutene
Conditions | Yield |
---|---|
61% |
Conditions | Yield |
---|---|
at 20℃; under 50 Torr; Kinetics; radical cross-combination reaction; Photolysis; | A 60% B 40% |
Conditions | Yield |
---|---|
With iron at 23 - 110℃; under 29420.3 Torr; Hydrogenation.in Gegenwart eines Polymerisationsinhibitors; |
Conditions | Yield |
---|---|
With cefaloridine at 280℃; | |
Cs-exchanged H(x)Cs30Na19(AlO2)54(SiO2)138 zeolite Ambient temperature; |
Conditions | Yield |
---|---|
at 275℃; Leiten ueber Floridin; |
Conditions | Yield |
---|---|
at 280℃; |
Conditions | Yield |
---|---|
With cefaloridine at 280℃; |
2-methyl-but-2-ene
A
propene
B
ethene
C
2,3-dimethylbutene
D
isoprene
Conditions | Yield |
---|---|
at 750℃; under 15 Torr; |
1,2-Butadiene is a colourless flammable gas at room temperature and atmospheric pressure with the formula C4H6. The IUPAC name of this chemical is buta-1,2-diene. It is soluble in ethanol, ether and benzene, insoluble in water.
Preparation: 1,2-Butadiene can be obtained by many methods. It can be extracted from a mixed butadiene stream using a distillation process. It also can be obtained by 3-methyl-pent-4-yn-2-ol. This reaction reacts at temperature of 66 °C and pressure of 0.001. The yield is 98%.
Uses: 1,2-Butadiene is mainly used as feedstock in the manufacturing of synthetic elastomers. It probably has some anesthetic activity and can act as a simple asphyxiant. Moreover, it is also used in organic synthesis. For example: it can react with hexamethyl-disilane to get 2,3-bis-trimethylsilanyl-but-1-ene. This reaction needs reagent but-2-ene and catalytic agent Pd(PPh3)4 at temperature of 120 °C. The reaction time is 15 hours. The yield is 73%.
Safty: 1,2-Butadiene is extremely flammable, so peole should keep it away from sources of ignition. As it is a chemical, people must not breathe vapour and avoid contact with skin and eyes. The product must be stored in air bottle in a cool place.
Other properties: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.6; (6)ACD/BCF (pH 7.4): 18.6; (7)ACD/KOC (pH 5.5): 282.07; (8)ACD/KOC (pH 7.4): 282.07; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.376; (14)Molar Refractivity: 20.28 cm3; (15)Molar Volume: 88.3 cm3; (16)Polarizability: 8.04×10-24 cm3; (17)Surface Tension: 6 dyne/cm; (18)Density: 0.612 g/cm3; (19)Flash Point: °C; (20)Enthalpy of Vaporization: 24.02 kJ/mol; (21)Boiling Point: 10.7 °C at 760 mmHg; (22)Vapour Pressure: 1260 mmHg at 25°C.
Structure Descriptors:
1. Smiles:C(=C=C)C
2. InChI:InChI=1/C4H6/c1-3-4-2/h4H,1H2,2H3