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83528-59-0

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Basic Information
CAS No.: 83528-59-0
Name: 4-(IODOMETHYL)-CYCLOPENTENE
Article Data: 2
Molecular Structure:
Molecular Structure of 83528-59-0 (4-(IODOMETHYL)-CYCLOPENTENE)
Formula: C6H9I
Molecular Weight: 208.042
Synonyms: 4-(Iodomethyl)cyclopentene;
Density: 1.706 g/cm3
Boiling Point: 190 ºC at 760 mmHg
Flash Point: 78.9 ºC
PSA: 0.00000
LogP: 2.38760
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Specification

The Cyclopentene,4-(iodomethyl)-, with the CAS registry number 83528-59-0, is also known as (3-Cyclopentenyl)iodomethane. This chemical's molecular formula is C6H9I and molecular weight is 208.04. What's more, its systematic name is called 4-(Iodomethyl)cyclopentene.

Physical properties about Cyclopentene,4-(iodomethyl)- are: (1) ACD/LogP: 3.13; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3.13; (4) ACD/LogD (pH 7.4): 3.13; (5) ACD/BCF (pH 5.5): 139.96; (6) ACD/BCF (pH 7.4): 139.96; (7) ACD/KOC (pH 5.5): 1195.94; (8) ACD/KOC (pH 7.4): 1195.94; (9) #H bond acceptors: 0; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 0 Å2; (13) Index of Refraction: 1.575; (14) Molar Refractivity: 40.32 cm3; (15) Molar Volume: 121.9 cm3; (16) Surface Tension: 41.7 dyne/cm; (17) Density: 1.706 g/cm3; (18) Flash Point: 78.9 °C; (19) Enthalpy of Vaporization: 40.88 kJ/mol; (20) Boiling Point: 190 °C at 760 mmHg; (21) Vapour Pressure: 0.765 mmHg at 25 °C.

Preparation of Cyclopentene,4-(iodomethyl)-: this chemical can be prepared by 4-Tosyloxymethyl-cyclopentene.



The reaction occurs with reagent NaI and solvent Acetone and other condition of heating for 36 hours. The yield is 88 %.

You can still convert the following datas into molecular structure:
(1) SMILES: ICC1C/C=C\C1
(2) InChI: InChI=1/C6H9I/c7-5-6-3-1-2-4-6/h1-2,6H,3-5H2
(3) InChIKey: JBUPUPVSIWQTFU-UHFFFAOYAQ