2,5-DIMETHYL-1,3-OXAZOLE-4-CARBONYL CHLORIDE

The 4-Oxazolecarbonylchloride, 2,5-dimethyl-, with the CAS registry number 197719-27-0, is also known as 4-Oxazolecarbonyl chloride, 2,5-dimethyl- (9CI). It belongs to the product categories of Acidhalide; Carbonyl Chlorides; Carbonyl Chlorides; Oxazoles, Isoxazoles & Benzoxazoles. This chemical's molecular formula is C₆H₆ClNO₂ and molecular weight is 159.57. What's more, its systematic name is called 2,5-Dimethyl-1,3-oxazole-4-carbonyl chloride.

Physical properties about 4-Oxazolecarbonylchloride, 2,5-dimethyl- are: (1) ACD/LogP: 0.62; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.62; (4) ACD/LogD (pH 7.4): 0.62; (5) ACD/BCF (pH 5.5): 1.75; (6) ACD/BCF (pH 7.4): 1.75; (7) ACD/KOC (pH 5.5): 51.93; (8) ACD/KOC (pH 7.4): 51.93; (9) #H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 43.1 Å²; (13) Index of Refraction: 1.499; (14) Molar Refractivity: 36.53 cm³; (15) Molar Volume: 124.4 cm³; (16) Surface Tension: 40.8 dyne/cm; (17) Density: 1.282 g/cm³; (18) Flash Point: 79.9 °C; (19) Enthalpy of Vaporization: 44.47 kJ/mol; (20) Boiling Point: 208.5 °C at 760 mmHg; (21) Vapour Pressure: 0.213 mmHg at 25 °C; (22) Melting Point: 217 °C.

Uses of 4-Oxazolecarbonylchloride, 2,5-dimethyl-: it is used to produce other chemicals. For example, it is used to produce 2-(2,5-Dimethyl-oxazole-4-carbonyl)-4-methyl-5-oxo-2,5-dihydro-isoxazole-3-carboxylic acid ethyl ester. The reaction occurs with reagent Base. The yield is 85 %.

When you are dealing with this chemical, you should be very careful. This chemical may destroy living tissue on contact and it may cause burns. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Cl)c1nc(oc1C)C
(2) InChI: InChI=1/C6H6ClNO2/c1-3-5(6(7)9)8-4(2)10-3/h1-2H3
(3) InChIKey: XZXCVPKMCPXVFF-UHFFFAOYAL