Isoxazole,5-(4-chlorophenyl)-3-methyl- supplier

Name
5-(4-Chlorophenyl)-3-methylisoxazole
EINECS
CAS No. 4211-87-4
Article Data5
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point
Formula C₁₀H₈ClNO
Boiling Point 309.875 °C at 760 mmHg
Molecular Weight 193.633
Flash Point 141.207 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Isoxazole,5-(p-chlorophenyl)-3-methyl- (7CI,8CI);5-(4-Chlorophenyl)-3-methylisoxazole;5-(4-Chlorophenyl)-3-methyl-1,2-oxazole;
PSA 26.03000
LogP 3.30340

Isoxazole,5-(4-chlorophenyl)-3-methyl- Specification

The CAS registry number of Isoxazole,5-(4-chlorophenyl)-3-methyl- is 4211-87-4. The IUPAC name is 5-(4-chlorophenyl)-3-methyl-1,2-oxazole. In addition, the molecular formula is C₁₀H₈ClNO and the molecular weight is 193.63. It should be stored in a cool and dry place.

Physical properties about Isoxazole,5-(4-chlorophenyl)-3-methyl- are: (1)ACD/LogP: 3.59; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 254; (5)ACD/BCF (pH 7.4): 254; (6)ACD/KOC (pH 5.5): 1830; (7)ACD/KOC (pH 7.4): 1830; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å²; (11)Index of Refraction: 1.554; (12)Molar Refractivity: 50.956 cm³; (13)Molar Volume: 158.962 cm³; (14)Polarizability: 20.2 ×10^-24cm³; (15)Surface Tension: 41.011 dyne/cm; (16)Density: 1.218 g/cm³; (17)Flash Point: 141.207 °C; (18)Enthalpy of Vaporization: 52.87 kJ/mol; (19)Boiling Point: 309.875 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(c1onc(c1)C)cc2
(2)InChI: InChI=1/C10H8ClNO/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3
(3)InChIKey: RHWRHGZPEXZURY-UHFFFAOYAI

Product Name

5-(4-Chlorophenyl)-3-methylisoxazole

Isoxazole,5-(4-chlorophenyl)-3-methyl- Specification

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