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| CAS No.: | 463-49-0 |
|---|---|
| Name: | 1,2-Propadiene |
| Molecular Structure: | |
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|
|
| Formula: | C3H4 |
| Molecular Weight: | 40.0648 |
| Synonyms: | Allene(8CI);Propadiene (7CI);Bis(methylene)methane;Dimethylenemethane;sym-Allylene; |
| EINECS: | 207-335-3 |
| Density: | 0.546 g/cm3 |
| Melting Point: | -136 °C (lit.) |
| Boiling Point: | -34 °C |
| Appearance: | colorless gas |
| Hazard Symbols: |
 F+,  F
|
| Risk Codes: | 12 |
| Safety: | 9-16-33 |
| Transport Information: | UN 2200 |
| PSA: | 0.00000 |
| LogP: | 0.95730 |
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Specification
The 1, 2-Propadiene, with the CAS registry number of 463-49-0, is also known as Propadiene. Its EINECS registry number is 207-335-3. This chemical's molecular formula is C3H4 and molecular weight is 40.06. What's more, its IUPAC name is Propa-1, 2-diene. In addition, it must be stored in airtight containers and placed in a dry, ventilated place at 2-10 °C. Meanwhile, it should be avoided contact with light. Besides, 1, 2-Propadiene is the simplest allene, a compound with conjoined C=C double bonds.
Physical properties about 1, 2-Propadiene are: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.45; (6)ACD/BCF (pH 7.4): 7.45; (7)ACD/KOC (pH 5.5): 146.49; (8)ACD/KOC (pH 7.4): 146.49; (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: 1.339; (14)Molar Refractivity: 15.32 cm3; (15)Molar Volume: 73.2 cm3; (16)Surface Tension: 3.5 dyne/cm; (17)Density: 0.546 g/cm3; (18)Enthalpy of Vaporization: 21.37 kJ/mol; (19)Vapour Pressure: 5020 mmHg at 25 °C.
Preparation: this chemical is prepared by 5-Methylene-5H-furan-2-one. The reaction temperature is 1100 °C. The yield is about 60 %.
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Uses: (1) as a constituent of MAPP gas, it is used as a fuel for specialized welding; (2)it can be used as standard gas; (3)it is used to produce other chemicals. For example, it is used to produce 2, 2-Difluoro-propane. The reaction needs reagent Hydrogen fluoride. The reaction time is 12 hours with reaction temperature of -100 - -10 °C. The yield is about 100 %.
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When you are using this chemical, please be cautious about it as the following:
This chemical is extremely flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition. And take precautionary measures against static discharges.
You can still convert the following datas into molecular structure:
(1) SMILES: C(=C)=C
(2) InChI: InChI=1/C3H4/c1-3-2/h1-2H2
(3) InChIKey: IYABWNGZIDDRAK-UHFFFAOYAH