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40340-41-8

Basic Information
CAS No.: 40340-41-8
Name: 5-(CHLOROMETHYL)-3-METHYLISOXAZOLE
Article Data: 12
Molecular Structure:
Molecular Structure of 40340-41-8 (5-(CHLOROMETHYL)-3-METHYLISOXAZOLE)
Formula: C5H6ClNO
Molecular Weight: 131.562
Synonyms: 3-Methyl-5-(chloromethyl)isoxazole;5-(Chloromethyl)-3-methyl-1,2-oxazole;5-(Chloromethyl)-3-methylisoxazole;
Density: 1.202 g/cm3
Boiling Point: 211.6 °C at 760 mmHg
Flash Point: 81.8 °C
PSA: 26.03000
LogP: 1.72180
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Specification

The CAS registry number of Isoxazole,5-(chloromethyl)-3-methyl- is 40340-41-8. The IUPAC name is 5-(chloromethyl)-3-methylisoxazole. In addition, the molecular formula is C5H6ClNO and the molecular weight is 131.56. It is irritating and it should be stored in a cool and dry place.

Physical properties about Isoxazole,5-(chloromethyl)-3-methyl- are: (1)ACD/LogP: 0.81; (2)ACD/LogD (pH 5.5): 0.81; (3)ACD/LogD (pH 7.4): 0.81; (4)ACD/BCF (pH 5.5): 2.42; (5)ACD/BCF (pH 7.4): 2.42; (6)ACD/KOC (pH 5.5): 65.6; (7)ACD/KOC (pH 7.4): 65.6; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å2; (11)Index of Refraction: 1.482; (12)Molar Refractivity: 31.23 cm3; (13)Molar Volume: 109.4 cm3; (14)Polarizability: 12.38 ×10-24cm3; (15)Surface Tension: 36.1 dyne/cm; (16)Density: 1.202 g/cm3; (17)Flash Point: 81.8 °C; (18)Enthalpy of Vaporization: 42.96 kJ/mol; (19)Boiling Point: 211.6 °C at 760 mmHg; (20)Vapour Pressure: 0.263 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1onc(c1)C
(2)InChI: InChI=1/C5H6ClNO/c1-4-2-5(3-6)8-7-4/h2H,3H2,1H3
(3)InChIKey: ZWBJJNWJUXXFNP-UHFFFAOYAM