Structural formula
| Business number | 03KH |
|---|---|
| Molecular formula | C4H5N |
| Molecular weight | 67.09 |
| label |
2-Methacrylonitrile, methacrylonitrile, 2-Methyl-2-acrylonitrile, Isopropenylnitrile, Isopropene cyanide, 2-Methyl-2-propenenetrile, aliphatic compounds, synthetic raw materials, Intermediates |
Numbering system
CAS number:126-98-7
MDL number:MFCD00001872
EINECS number:204-817-5
RTECS number:UD1400000
BRN number:773708
PubChem number:24851691
Physical property data
1. Properties: Colorless, flammable and volatile liquid
2. Relative density (20℃): 0.798~0.802
3. Refractive index(n20D): 1.400~1.402
4. Flash point (℃): 12
5. Melting point (℃): -35.8
6. Boiling point (ºC): 90.3~92
7. Solubility: Slightly soluble in water and chloroform, compatible with propanol, ether, acetone, Octane and toluene are miscible.
Toxicological data
The oral LD50 in rats is 0.25mL/kg.
Ecological data
None
Molecular structure data
1. Molar refractive index: 20.06
2. Molar volume (cm3/mol): 82.8
3. Isotonic specific volume (90.2K ): 184.7
4. Surface tension (dyne/cm): 24.7
5. Polarizability (10-24cm3): 7.95
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: none
6. Topological molecule polar surface area 23.8
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 83.1
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Colorless liquid. The solubility in water at 20°C is 2.57g, 100g, and the solubility in water at 50°C is 2.69g, 100g; the solubility of water in this product at 20°C is 1.62g, 100g, and the solubility at 50°C is 2.83g, 100g. It can be mixed with acetone, octane and toluene at 20-25℃. Easy to polymerize, often add 0.1% hydroquinone as stabilizer.
2. Exist in smoke.
3. 2-Methacrylic acid is generated after hydrolysis. Easy to polymerize and can be copolymerized with other monomers.
4. Highly toxic!
Storage method
Operators should wear labor protection equipment. Store and transport according to regulations on toxic and dangerous goods.
Synthesis method
1. Prepared by ammoxidation of mixed carbon tetrahydrocarbons. The raw material carbon tetrahydrocarbons mainly contain 44.2% of n-butene-1, 31.6% of isobutylene, 12.5% of butene-2, and a small amount of other carbon tetrahydrocarbons. The raw material carbon tetrahydrocarbons; ammonia and water-saturated humid air are mixed in a preheater in a ratio (1:1.4:13-14) and preheated to 180-200°C. They enter the reactor from the bottom of the reactor and are heated to 0.5 The linear velocity of m and s makes the catalyst in a fluidized state, and the catalytic reaction is performed at 440-460°C. The catalyst is phosphorus-tantalum-bismuth-antimony. The conversion rate of isobutylene is 77.15%, and the single-pass conversion rate of methacrylonitrile is 51.7%. Since the carbon tetrahydrocarbon saturation contains n-butene, which is oxidized to butadiene, the yield is more than 44.9%, and the 1-butene conversion rate reaches 76.31%. Therefore, two products can be obtained by using this method.
2. Synthesis: It can be produced by reacting 1,2-propylene oxide with hydrocyanic acid and then losing water.
Purpose
1. An important raw material for organic synthesis, methyl methacrylate can be obtained through hydrolysis and esterification, and it can itself be polymerized into polymer materials.
2. Used to prepare esters such as 2-methyl methacrylate and synthetic resins.
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