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3096-46-6

Basic Information
CAS No.: 3096-46-6
Name: 2-IODO-9H-FLUOREN-9-ONE
Article Data: 10
Molecular Structure:
Molecular Structure of 3096-46-6 (2-IODO-9H-FLUOREN-9-ONE)
Formula: C13H7IO
Molecular Weight: 306.102
Synonyms: Fluoren-9-one,2-iodo- (6CI,7CI,8CI);2-Iodofluoren-9-one;2-Iodofluorenone;NSC 65932;
Density: 1.833 g/cm3
Melting Point: 142-143 °C
Boiling Point: 417.6 °C at 760 mmHg
Flash Point: 206.4 °C
PSA: 17.07000
LogP: 3.50260
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Specification

The 9H-Fluoren-9-one, 2-iodo-, with the CAS registry number 3096-46-6, is also known as 2-Iodo-9H-fluoren-9-one. This chemical's molecular formula is C13H7IO and molecular weight is 306.1. What's more, its IUPAC name is 2-Iodofluoren-9-one.

Physical properties about 9H-Fluoren-9-one, 2-iodo- are: (1)ACD/LogP: 4.61; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å2; (7)Index of Refraction: 1.733; (8)Molar Refractivity: 66.83 cm3; (9)Molar Volume: 166.9 cm3; (10)Polarizability: 26.49×10-24 cm3; (11)Surface Tension: 59.4 dyne/cm; (12)Density: 1.833 g/cm3; (13)Flash Point: 206.4 °C; (14)Enthalpy of Vaporization: 67.1 kJ/mol; (15)Boiling Point: 417.6 °C at 760 mmHg; (16)Vapour Pressure: 3.5E-07 mmHg at 25 °C.

Preparation of 9H-Fluoren-9-one, 2-iodo-: this chemical is prepared by 2-Iodo-fluorene by heating. The reaction needs reagent Na2Cr2O7 and solvent Acetic acid. The reaction time is 4 hours. The yield is about 78 %.

The 9H-Fluoren-9-one, 2-iodo- can be obtained by 2-Iodo-fluorene.

Uses of 9H-Fluoren-9-one, 2-iodo-: it is used to produce other chemicals. For example, it is used to produce 2-(Diacetoxyiodo)fluoren-9-one by heating. The reaction needs reagent 30 % aq. H2O2. The reaction time is 24 hours. The yield is about 60 %.

9H-Fluoren-9-one, 2-iodo- can react with Acetic acid anhydride to get 2-(Diacetoxyiodo)fluoren-9-one.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic3ccc2c1ccccc1C(=O)c2c3
(2) InChI: InChI=1/C13H7IO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
(3) InChIKey: VRRWYZJLVCUFPU-UHFFFAOYAE