Isoxazole,4-iodo- supplier | CasNO.847490-69-1

Name
4-IODOISOXAZOLE
EINECS
CAS No. 847490-69-1
Article Data4
CAS DataBase
Density 2.227 g/cm³
Solubility
Melting Point
Formula C₃H₂INO
Boiling Point 214.826 °C at 760 mmHg
Molecular Weight 194.959
Flash Point 83.724 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Iodoisoxazole;4-Iodo-1,2-oxazole;
PSA 26.03000
LogP 1.27920

Isoxazole,4-iodo- Specification

The Isoxazole,4-iodo-, with the CAS registry number 847490-69-1, is also known as 4-Lodoisoxazole. This chemical's molecular formula is C₃H₂INO and molecular weight is 194.9586. What's more, its systematic name is 4-Iodo-1,2-oxazole.

Physical properties about Isoxazole,4-iodo- are: (1)ACD/LogP: 1.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 96; (8)ACD/KOC (pH 7.4): 96; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.03 Å²; (13)Index of Refraction: 1.59; (14)Molar Refractivity: 29.551 cm³; (15)Molar Volume: 87.525 cm³; (16)Surface Tension: 48.53 dyne/cm; (17)Density: 2.227 g/cm³; (18)Flash Point: 83.724 °C; (19)Enthalpy of Vaporization: 43.278 kJ/mol; (20)Boiling Point: 214.826 °C at 760 mmHg; (21)Vapour Pressure: 0.223 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1conc1
(2) InChI: InChI=1/C3H2INO/c4-3-1-5-6-2-3/h1-2H
(3) InChIKey: BKACOOKVHZFHEW-UHFFFAOYAT

Product Name

4-IODOISOXAZOLE

Isoxazole,4-iodo- Specification

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