3,5-Dimethyl-4-(2-iodooethyl)isoxazole supplier

Name
3,5-DIMETHYL-4-(2-IODOETHYL)ISOXAZOLE
EINECS
CAS No. 83467-36-1
Density 1.677 g/cm³
Solubility
Melting Point
Formula C₇H₁₀INO
Boiling Point 287.3 °C at 760 mmHg
Molecular Weight 251.067
Flash Point 127.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-(2-iodoethyl)-3,5-dimethylisoxazole;isoxazole, 4-(2-iodoethyl)-3,5-dimethyl-;4-(2-Iodoethyl)-3,5-dimethyl-1,2-oxazole;
PSA 26.03000
LogP 2.26890

3,5-Dimethyl-4-(2-iodooethyl)isoxazole Specification

The Isoxazole,4-(2-iodoethyl)-3,5-dimethyl-, with the CAS registry number 83467-36-1, has the systematic name of 4-(2-iodoethyl)-3,5-dimethylisoxazole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₇H₁₀INO.

The characteristics of Isoxazole,4-(2-iodoethyl)-3,5-dimethyl- are as followings: (1)ACD/LogP: 2.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.39; (4)ACD/LogD (pH 7.4): 2.39; (5)ACD/BCF (pH 5.5): 38.44; (6)ACD/BCF (pH 7.4): 38.44; (7)ACD/KOC (pH 5.5): 474.21; (8)ACD/KOC (pH 7.4): 474.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 48.81 cm³; (15)Molar Volume: 149.6 cm³; (16)Polarizability: 19.35×10^-24cm³; (17)Surface Tension: 42.1 dyne/cm; (18)Density: 1.677 g/cm³; (19)Flash Point: 127.6 °C; (20)Enthalpy of Vaporization: 50.54 kJ/mol; (21)Boiling Point: 287.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00432 mmHg at 25°C.

Preparation of Isoxazole,4-(2-iodoethyl)-3,5-dimethyl-: This chemical can be prepared by 1,1'-cyclopropane-1,1-diyl-bis-ethanone. And the yield is about 55%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ICCc1c(onc1C)C
(2)InChI: InChI=1/C7H10INO/c1-5-7(3-4-8)6(2)10-9-5/h3-4H2,1-2H3
(3)InChIKey: UQHKDFGFMKDTBO-UHFFFAOYAO

Product Name

3,5-DIMETHYL-4-(2-IODOETHYL)ISOXAZOLE

3,5-Dimethyl-4-(2-iodooethyl)isoxazole Specification

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