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| CAS No.: | 1120-64-5 |
|---|---|
| Name: | 2-METHYL-2-OXAZOLINE |
| Article Data: | 45 |
| Molecular Structure: | |
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| Formula: | C4H7NO |
| Molecular Weight: | 85.1057 |
| Synonyms: | 2-Oxazoline,2-methyl- (6CI,7CI,8CI);2-Methyl-2-oxazoline;NSC 43141;2-Methyl-4,5-dihydrooxazole;2-Methyloxazoline;4,5-Dihydro-2-methyloxazole; |
| EINECS: | 214-316-3 |
| Density: | 1.08 g/cm3 |
| Boiling Point: | 110 °C at 760 mmHg |
| Flash Point: | 20 °C |
| Solubility: | Soluble in water (7051 mg/L at 25°C). |
| Appearance: | clear colourless to very faint yellow liquid |
| Hazard Symbols: |
 F
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| Risk Codes: | 11 |
| Safety: | 23-24/25 |
| Transport Information: | UN 1993 |
| PSA: | 21.59000 |
| LogP: | -0.12940 |
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Specification
The IUPAC name of 2-Methyl-2-oxazoline is 2-methyl-4,5-dihydro-1,3-oxazole. With the CAS registry number 1120-64-5, it is also named as 2-Oxazoline, 2-methyl-. The product's categories are Building Blocks; Heterocyclic Building Blocks; Oxazolines / Oxazolidines. It is clear colourless to very faint yellow liquid which is stable under normal temperature and pressure. Additionally, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.31; (4)ACD/LogD (pH 7.4): -0.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.89; (8)ACD/KOC (pH 7.4): 7.95; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.492; (13)Molar Refractivity: 22.68 cm3; (14)Molar Volume: 78 cm3; (15)Polarizability: 8.99×10-24 cm3; (16)Surface Tension: 31.7 dyne/cm; (17)Enthalpy of Vaporization: 33.43 kJ/mol; (18)Vapour Pressure: 28.4 mmHg at 25°C; (19)Exact Mass: 85.052764; (20)MonoIsotopic Mass: 85.052764; (21)Topological Polar Surface Area: 21.6; (22)Heavy Atom Count: 6; (23)Complexity: 77.6.
Preparation of 2-Methyl-2-oxazoline: It can be obtained by N-(2-chloro-ethyl)-acetamide. This reaction needs reagent AgBF4 and solvent acetonitrile at ambient temperature. The reaction time is 16 hours.
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Uses of 2-Methyl-2-oxazoline: It can react with N'-phenyl-benzohydrazonoyl chloride to get 4-(2-hydroxyethyl)-5-methyl-1,3-diphenyl-1,2,4-triazol-4-ium chloride. This reaction needs reagent Et3N and solvent benzene. The reaction time is 7 days. The yield is 69%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable. When use it, people should not breathe vapour and avoid contact with skin and eyes.
People can use the following data to convert to the molecule structure.
1. SMILES:N\1=C(\OCC/1)C
2. InChI:InChI=1/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3
3. InChIKey:GUXJXWKCUUWCLX-UHFFFAOYAO