-
Name
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid
- EINECS 223-487-3
- CAS No. 3919-76-4
- Article Data13
- CAS DataBase
- Density 1.483g/cm3
- Solubility
- Melting Point 221-222 ºC
- Formula C11H7 Cl2 N O3
- Boiling Point 383.6°Cat760mmHg
- Molecular Weight 272.087
- Flash Point 185.8°C
- Transport Information
- Appearance Whitetocreamsoli
- Safety 806524
- Risk Codes R36/37/38
-
Molecular Structure
-
Hazard Symbols
- Synonyms 3-(2,6-Dichlorophenyl)-5-methyl-4-isoxazolylcarboxylicacid; 3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid;5-Methyl-3-(2,6-dichlorophenyl)isoxazole-4-carboxylic acid
- PSA 63.33000
- LogP 3.65500
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid Chemical Properties
IUPAC Name: 3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
Empirical Formula: C11H7Cl2NO3
Molecular Weight: 272.0842g/mol
EINECS: 223-487-3
Structure of 4-Isoxazolecarboxylicacid, 3-(2,6-dichlorophenyl)-5-methyl- (CAS NO.3919-76-4):
Index of Refraction: 1.6
Molar Refractivity: 62.78 cm3
Molar Volume: 183.4 cm3
Polarizability: 24.88×10-24cm3
Surface Tension: 55.3 dyne/cm
Density: 1.483 g/cm3
Flash Point: 185.8 °C
Enthalpy of Vaporization: 66.68 kJ/mol
Melting Point: 221 °C
Boiling Point: 383.6 °C at 760 mmHg
Vapour Pressure: 1.44E-06 mmHg at 25°C
Product Categories: Oxazole&Isoxazole
Canonical SMILES: CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)O
InChI: InChI=1S/C11H7Cl2NO3/c1-5-8(11(15)16)10(14-17-5)9-6(12)3-2-4-7(9)13/h2-4H,1H3,(H,15,16)
InChIKey: WQXUUMUOERZZAE-UHFFFAOYSA-N
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38-22
R36/37/38:Irritating to eyes, respiratory system and skin.
R22:Harmful if swallowed.
Safety Statements: 22-36/37-36/37/39-26
S22:Do not breathe dust.
S36/37:Wear suitable protective clothing and gloves.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
Hazard Note: Harmful
3-(2,6-Dichlorophenyl)-5-methylisoxazole-4-carboxylic acid Specification
4-Isoxazolecarboxylicacid, 3-(2,6-dichlorophenyl)-5-methyl- , its cas register number is 3919-76-4. It also can be called 3-(2,6-Dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid ; 5-Methyl-3-(2',6'-dichlorophenyl)-4-isoxazolecarboxylic acid . 4-Isoxazolecarboxylicacid, 3-(2,6-dichlorophenyl)-5-methyl- (CAS NO.3919-76-4) is irritating to eyes, respiratory system and skin. And it is harmful if swallowed.
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