2-Nitrofluorene CAS NO.607-57-8

1. Introduction of2-Nitrofluorene

The 2-Nitrofluorene, with its CAS NO607-57-8, is a kind ofyellow powder. It h…

 1. Introduction of 2-Nitrofluorene

 

The 2-Nitrofluorene, with its CAS NO 607-57-8, is a kind of yellow powder. It has synonyms of Fluorene,2-nitro- (6CI,7CI,8CI);2-Nitro-9H-fluorene;2-Nitrofluorene and NSC 5182. 2-Nitrofluorene should be stored in shady and cool warehouse.

 

2. Properties of 2-Nitrofluorene

 

(1)  ACD/LogP: 3.982   (2) ACD/LogD (pH 5.5): 3.98   (3) ACD/LogD (pH 7.4): 3.98
(4)  ACD/BCF (pH 5.5): 625.70   (5) ACD/BCF (pH 7.4): 625.70
(6) ACD/KOC (pH 5.5): 3493.33  (7) ACD/KOC (pH 7.4): 3493.33
(8) #H bond acceptors: 3   (9) #Freely Rotating Bonds: 1   (10) Polar Surface Area: 45.82 ?2
(11) Index of Refraction: 1.677  (12) Molar Refractivity: 60.341 cm3
(13) Molar Volume: 160.175 cm3   (14) Polarizability: 23.921 10-24cm3
(15) Surface Tension: 58.1189994812012 dyne/cm  (16) Density: 1.319 g/cm3
(17) Flash Point: 185.247 °C   (18) Enthalpy of Vaporization: 59.77 kJ/mol
(19) Boiling Point: 374.689 °C at 760 mmHg

 

3. Structure descriptors of 2-Nitrofluorene

 

IUPAC Name: 2-nitro-9H-fluorene

InChI: InChI=1S/C13H9NO2/c15-14(16)11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,
8H,7H2

InChIKey: XFOHWECQTFIEIX-UHFFFAOYSA-N

Canonical SMILES : C1C2=CC=CC=C2C3=C1C=C(C=C3)[N+](=O)[O-]

 

4. Toxicity data of 2-Nitrofluorene

 

 

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
mouse	LD50	intraperitoneal	1600mg/kg (1600mg/kg)	JNCI, Journal of the National Cancer Institute. Vol. 62, Pg. 911, 1979