IUPAC Name: 5-methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride
Empirical Formula: C11H8ClNO2
Molecular Weight: 221.6397g/mol
EINECS: 240-915-4
Structure of 4-Isoxazolecarbonylchloride, 5-methyl-3-phenyl- (CAS NO.16883-16-2):
Index of Refraction: 1.562
Molar Refractivity: 56.3 cm3
Molar Volume: 173.4 cm3
Polarizability: 22.32×10-24cm3
Surface Tension: 45.4 dyne/cm
Density: 1.278 g/cm3
Flash Point: 178.7 °C
Enthalpy of Vaporization: 61.9 kJ/mol
Boiling Point: 371.9 °C at 760 mmHg
Vapour Pressure: 9.97E-06 mmHg at 25°C
Product Categories: Oxazole&Isoxazole
Canonical SMILES: CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)Cl
InChI: InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey: HXEVQMXCHCDPSO-UHFFFAOYSA-N
Hazard Codes: C
Risk Statements: 22-34
R22:Harmful if swallowed.
R34:Causes burns.
Safety Statements: 26-36/37/39-45-26/36/37/39/45-20
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S20:When using, do not eat or drink.
RIDADR: UN3261
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II
4-Isoxazolecarbonylchloride, 5-methyl-3-phenyl- , its cas register number is 16883-16-2. It also can be called 3-phenyl-5-methylisoxazole-4-carbonyl chloride ; 5-Methyl-3-phenyl-1,2-oxazole-4-carbonyl chloride . 4-Isoxazolecarbonylchloride, 5-methyl-3-phenyl- (CAS NO.16883-16-2) is harmful if swallowed. And it may cause burns.
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