Basic information
- Name:
4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl-
- Superlist Name:
- 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carbonyl chloride
- CAS No.:
4462-55-9
- Molecular Structure:

- Formula:
- C11H6Cl3NO2
- Molecular Weight:
- 290.53
- Synonyms:
- 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarbonylchloride;
- EINECS:
- 224-723-8
- Density:
- 1.472 g/cm3
- Melting Point:
- 92 °C
- Boiling Point:
- 390.9 °C at 760 mmHg
- Flash Point:
- 190.2 °C
- Appearance:
- Yellow to brown powder
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 26-36/37/39-45-36/37/39/45 Details
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Chemistry
IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl chloride
Empirical Formula: C11H6Cl3NO2
Molecular Weight: 290.5298g/mol
EINECS: 224-723-8
Structure of 4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl- (CAS NO.4462-55-9):

Index of Refraction: 1.584
Molar Refractivity: 66.09 cm3
Molar Volume: 197.3 cm3
Polarizability: 26.2×10-24cm3
Surface Tension: 48.9 dyne/cm
Density: 1.472 g/cm3
Flash Point: 190.2 °C
Enthalpy of Vaporization: 64.04 kJ/mol
Melting Point: 92 °C
Boiling Point: 390.9 °C at 760 mmHg
Vapour Pressure: 2.57E-06 mmHg at 25°C
Product Categories: Oxazole&Isoxazole
Canonical SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)Cl
InChI: InChI=1S/C11H6Cl3NO2/c1-5-8(11(14)16)10(15-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3
InChIKey: IZQGELJKDARDMZ-UHFFFAOYSA-N
Safety Profile
Hazard Codes:
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45-36/37/39/45
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.)
RIDADR: 3261
Hazard Note: Corrosive
Specification
4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl- , its cas register number is 4462-55-9. It also can be called 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid chloride . 4-Isoxazolecarbonylchloride, 3-(2,6-dichlorophenyl)-5-methyl- (CAS NO.4462-55-9) is a yellow to brown powde which may cause burns.

