9-Fluorenone

Details:

1. Introduction of 9-Fluorenone

 

The 9-Fluorenone, with its CAS NO 486-25-9, is a kind of Off-white powder. It has synonyms of 9-Oxofluorene;
9H-Fluoren-9-one;AI3-00858;CCRIS 593;Diphenylene ketone; EINECS 207-630-7; Fluoren-9-one; Fluorenone;
HSDB 5490;NSC 5181 and UNII-AZ9T83S2AQ. 9-Fluorenone should be stored in shady and cool warehouse.
 

 

2. Properties of 9-Fluorenone

 

(1) ACD/LogP: 3.489   (2) ACD/LogD (pH 5.5): 3.49   (3) ACD/LogD (pH 7.4): 3.49
(4) ACD/BCF (pH 5.5): 263.83   (5) ACD/BCF (pH 7.4): 263.83
(6) ACD/KOC (pH 5.5): 1882.71   (7) ACD/KOC (pH 7.4): 1882.71
(8) #H bond acceptors: 1  (9)  Polar Surface Area: 17.07 ?2
(10) Index of Refraction: 1.667   (11) Molar Refractivity: 53.926 cm3
(12) Molar Volume: 144.83 cm3   (13) Polarizability: 21.378 10-24cm3
(14) Surface Tension: 52.3610000610352 dyne/cm   (15) Density: 1.244 g/cm3
(16) Flash Point: 144.142 °C   (17) Enthalpy of Vaporization: 58.516 kJ/mol
(18) Boiling Point: 341.499 °C at 760 mmHg
 

 

3. Structure descriptors of 9-Fluorenone

 

IUPAC Name: fluoren-9-one

InChI: InChI=1S/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H

InChIKey: YLQWCDOCJODRMT-UHFFFAOYSA-N

Canonical SMILES : C1=CC=C2C(=C1)C3=CC=CC=C3C2=O

 

4. Toxicity data of 9-Fluorenone

 

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	> 2gm/kg (2000mg/kg)	Pharmaceutical Chemistry Journal Vol. 23, Pg. 325, 1989