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5-Methyl-3-phenylisoxazole-4-carbonyl chloride

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Name

5-Methyl-3-phenylisoxazole-4-carbonyl chloride

EINECS 240-915-4
CAS No. 16883-16-2 Density 1.278 g/cm3
PSA 43.10000 LogP 3.02900
Solubility 701.8mg/L at 25℃ Melting Point 24 °C
Formula C11H8ClNO2 Boiling Point 371.9 °C at 760 mmHg
Molecular Weight 221.643 Flash Point 178.7 °C
Transport Information UN 3261 Appearance N/A
Safety 26-36/37/39-45-20 Risk Codes 22-34
Molecular Structure Molecular Structure of 16883-16-2 (5-Methyl-3-phenylisoxazole-4-carbonyl chloride) Hazard Symbols CorrosiveC
Synonyms

3-Phenyl-5-methyl-4-isoxazolecarbonylchloride;3-Phenyl-5-methylisoxazol-4-carboxyl chloride;5-Methyl-3-phenyl-4-isoxazolylcarbonylchloride;

Article Data 16

5-Methyl-3-phenylisoxazole-4-carbonyl chloride Chemical Properties

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

5-Methyl-3-phenylisoxazole-4-carbonyl chloride Safety Profile

Hazard Codes: CorrosiveC
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

5-Methyl-3-phenylisoxazole-4-carbonyl chloride Specification

  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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