Isoxazole,5-(4-iodophenyl)- supplier

Name
5-(4-IODOPHENYL)ISOXAZOLE
EINECS
CAS No. 160377-48-0
Article Data1
CAS DataBase
Density 1.773 g/cm³
Solubility
Melting Point 139 °C
Formula C₉H₆INO
Boiling Point 344.2 °C at 760 mmHg
Molecular Weight 271.057
Flash Point 162 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-(4-Iodophenyl)isoxazole;BUTTPARK 81\09-48;
PSA 26.03000
LogP 2.94620

Isoxazole,5-(4-iodophenyl)- Specification

The CAS register number of Isoxazole,5-(4-iodophenyl)- is 160377-48-0. The systematic name about this chemical is 5-(4-iodophenyl)isoxazole. The molecular formula about this chemical is C₉H₆INO and the molecular weight is 271.05.

Physical properties about Isoxazole,5-(4-iodophenyl)- are: (1)ACD/LogP: 3.64; (2)ACD/LogD (pH 5.5): 3.64; (3)ACD/LogD (pH 7.4): 3.64; (4)ACD/BCF (pH 5.5): 341.71; (5)ACD/BCF (pH 7.4): 341.71; (6)ACD/KOC (pH 5.5): 2265.7; (7)ACD/KOC (pH 7.4): 2265.7; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 26.03 Å²; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 54.14 cm³; (13)Molar Volume: 152.8 cm³; (14)Polarizability: 21.46x10^-24cm³; (15)Surface Tension: 49 dyne/cm; (16)Density: 1.773 g/cm³; (17)Flash Point: 162 °C; (18)Enthalpy of Vaporization: 56.49 kJ/mol; (19)Boiling Point: 344.2 °C at 760 mmHg; (20)Vapour Pressure: 0.000133 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic2ccc(c1oncc1)cc2
(2)InChI: InChI=1/C9H6INO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
(3)InChIKey: TYNWYXFACGRXMG-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H6INO/c10-8-3-1-7(2-4-8)9-5-6-11-12-9/h1-6H
(5)Std. InChIKey: TYNWYXFACGRXMG-UHFFFAOYSA-N

Product Name

5-(4-IODOPHENYL)ISOXAZOLE

Isoxazole,5-(4-iodophenyl)- Specification

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