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76154-40-0

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Basic Information
CAS No.: 76154-40-0
Name: 5-(iodomethyl)-2-furaldehyde
Molecular Structure:
Molecular Structure of 76154-40-0 (5-(iodomethyl)-2-furaldehyde)
Formula: C6H5IO2
Molecular Weight: 236.009
Synonyms: 5-(Iodomethyl)-2-furaldehyde;
EINECS: 278-385-1
Density: 1.982 g/cm3
Boiling Point: 297.722 °C at 760 mmHg
Flash Point: 133.858 °C
PSA: 30.21000
LogP: 2.02710
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  • 2-Furancarboxaldehyde,5-(iodomethyl)-

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    76154-40-0

    2-Furancarboxaldehyde,5-(iodomethyl)-

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  • 2-Furancarboxaldehyde,5-(iodomethyl)-

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    76154-40-0

    2-Furancarboxaldehyde,5-(iodomethyl)-

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Specification

The 2-Furancarboxaldehyde, 5-(iodomethyl)-, with the CAS registry number 76154-40-0, is also known as 5-(Iodomethyl)-2-furaldehyde. Its EINECS registry number is 278-385-1. This chemical's molecular formula is C6H5IO2 and molecular weight is 236.00717. What's more, its IUPAC name is 5-(Iodomethyl)furan-2-carbaldehyde.

Physical properties about 2-Furancarboxaldehyde, 5-(iodomethyl)- are: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 30.21 Å2; (7)Index of Refraction: 1.646; (8)Molar Refractivity: 43.191 cm3; (9)Molar Volume: 119.031 cm3; (10)Polarizability: 17.122×10-24 cm3; (11)Surface Tension: 50.372 dyne/cm; (12)Density: 1.983 g/cm3; (13)Flash Point: 133.858 °C; (14)Enthalpy of Vaporization: 53.759 kJ/mol; (15)Boiling Point: 297.722 °C at 760 mmHg; (16)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=Cc1oc(cc1)CI
(2) InChI: InChI=1/C6H5IO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2
(3) InChIKey: BOQNBJCFILUPHH-UHFFFAOYAI