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2-Methyl-2-oxazoline

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Name

2-Methyl-2-oxazoline

EINECS 214-316-3
CAS No. 1120-64-5 Density 1.08 g/cm3
PSA 21.59000 LogP -0.12940
Solubility Soluble in water (7051 mg/L at 25°C). Melting Point N/A
Formula C4H7NO Boiling Point 110 °C at 760 mmHg
Molecular Weight 85.1057 Flash Point 20 °C
Transport Information UN 1993 Appearance clear colourless to very faint yellow liquid
Safety 23-24/25 Risk Codes 11
Molecular Structure Molecular Structure of 1120-64-5 (2-METHYL-2-OXAZOLINE) Hazard Symbols FlammableF
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;

Article Data 45

2-Methyl-2-oxazoline 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.

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%.

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

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