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25023-01-2

Basic Information
CAS No.: 25023-01-2
Name: 9,9-DICHLOROFLUORENE
Article Data: 10
Molecular Structure:
Molecular Structure of 25023-01-2 (9,9-DICHLOROFLUORENE)
Formula: C13H8Cl2
Molecular Weight: 235.113
Synonyms: NSC 111101;9,9-Dichlorofluorene;Fluorene,9,9-dichloro- (8CI);9,9-Dichloro-9H-fluorene;
EINECS: 246-568-5
Density: 1.37 g/cm3
Boiling Point: 325.8 °C at 760 mmHg
Flash Point: 149.8 °C
PSA: 0.00000
LogP: 4.34570
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Specification

The IUPAC name of 9,9-Dichloro-9H-fluorene is 9,9-dichlorofluorene. With the CAS registry number 25023-01-2, it is also named as 9H-Fluorene,9,9-dichloro-. The product's category is Fluorene Derivatives. In addition, its molecular formula is C13H8Cl2 and molecular weight is 235.11.

The other characteristics of this product can be summarized as: (1)EINECS: 246-568-5; (2)ACD/LogP: 4.00; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4; (5)ACD/LogD (pH 7.4): 4; (6)ACD/BCF (pH 5.5): 643.79; (7)ACD/BCF (pH 7.4): 643.79; (8)ACD/KOC (pH 5.5): 3565.35; (9)ACD/KOC (pH 7.4): 3565.35; (10)#H bond acceptors: 0; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 0; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 63.71 cm3; (15)Molar Volume: 170.7 cm3; (16)Polarizability: 25.25×10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 149.8 °C; (20)Enthalpy of Vaporization: 54.53 kJ/mol; (21)Boiling Point: 325.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000428 mmHg at 25 °C.

Preparation of 9,9-Dichloro-9H-fluorene: this chemical can be prepared by fluoren-9-one.



This reaction needs PCl5 at temperature of 110 °C for 3 hours. The yield is 56.7 %.

Uses of 9,9-Dichloro-9H-fluorene: it can be used to produce [9,9']bifluorenylidene.



This reaction needs iron(II) oxalate dihydrate and dimethylformamide at temperature of 155-160 °C for 45 min. The yield is 93 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(Cl)Cl
(2)InChI: InChI=1S/C13H8Cl2/c14-13(15)11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
(3)InChIKey: LSTBDYVWQHHYHU-UHFFFAOYSA-N