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303225-22-1

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Basic Information
CAS No.: 303225-22-1
Name: 4-(CHLOROMETHYL)-3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE
Article Data: 2
Molecular Structure:
Molecular Structure of 303225-22-1 (4-(CHLOROMETHYL)-3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOLE)
Formula: C11H8Cl3NO
Molecular Weight: 276.55
Synonyms: 4-Chloromethyl-3-(2,6-dichlorophenyl)-5-methylisoxazole;
Density: 1.392 g/cm3
Melting Point: 61 °C
Boiling Point: 379.6 °C at 760 mmHg
Flash Point: 183.4 °C
Hazard Symbols: CorrosiveC
Risk Codes:  C:Corrosive;
">  C:Corrosive;
PSA: 26.03000
LogP: 4.69560
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Specification

The Isoxazole,4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methyl-, with the CAS registry number 303225-22-1, is also known as 3-(2,6-Dichlorophenyl)-4-(chloromethyl)-5-methylisoxazole. It belongs to the product category of Oxazole & Isoxazole. This chemical's molecular formula is C11H8Cl3NO and molecular weight is 276.55. Its systematic name is called 4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methylisoxazole. When you are using this chemical, please be cautious about it. This chemical may destroy living tissue on contact. 

Physical properties of Isoxazole,4-(chloromethyl)-3-(2,6-dichlorophenyl)-5-methyl-: (1)ACD/LogP: 3.38; (2)ACD/LogD (pH 5.5): 3.38; (3)ACD/LogD (pH 7.4): 3.38; (4)ACD/BCF (pH 5.5): 218.02; (5)ACD/BCF (pH 7.4): 218.02; (6)ACD/KOC (pH 5.5): 1642.48; (7)ACD/KOC (pH 7.4): 1642.48; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.574; (11)Molar Refractivity: 65.61 cm3; (12)Molar Volume: 198.6 cm3; (13)Surface Tension: 44.6 dyne/cm; (14)Density: 1.392 g/cm3; (15)Flash Point: 183.4 °C; (16)Enthalpy of Vaporization: 60.31 kJ/mol; (17)Boiling Point: 379.6 °C at 760 mmHg; (18)Vapour Pressure: 1.26E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c(c(Cl)ccc1)c2noc(c2CCl)C
(2)InChI: InChI=1/C11H8Cl3NO/c1-6-7(5-12)11(15-16-6)10-8(13)3-2-4-9(10)14/h2-4H,5H2,1H3
(3)InChIKey: PPUGTWAPVDDBEW-UHFFFAOYAD