9H-Fluorene-9,9-dipropanenitrile supplier

Name
9,9-BIS(2-CYANOETHYL)FLUORENE
EINECS 224-605-6
CAS No. 4425-97-2
Article Data8
CAS DataBase
Density 1.126 g/cm³
Solubility
Melting Point
Formula C₁₉H₁₆N₂
Boiling Point 511 °C at 760 mmHg
Molecular Weight 272.349
Flash Point 249.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Fluorene-9,9-dipropionitrile(6CI,7CI,8CI);3,3'-Fluoren-9-ylidenedi(propionitrile);Fluorene-9,9-bis(propionitrile);NSC 30667;3,3'-(9H-Fluorene-9,9-diyl)dipropanenitrile;9,9-Bis(2-cyanoethyl)fluorene;3-[9-(2-Cyanoethyl)fluoren-9-yl]propanenitrile;
PSA 47.58000
LogP 4.56066

9H-Fluorene-9,9-dipropanenitrile Specification

The 9H-Fluorene-9,9-dipropanenitrile, with the CAS registry number 4425-97-2, is also known as 9,9-Bis(2-cyanoethyl)fluorene. This chemical's molecular formula is C₁₉H₁₆N₂ and molecular weight is 272.34. What's more, its systematic name is 3,3'-(9H-Fluorene-9,9-diyl)dipropanenitrile and its EINECS number is 224-605-6.

Physical properties of 9H-Fluorene-9,9-dipropanenitrile are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 151.24; (6)ACD/BCF (pH 7.4): 151.24; (7)ACD/KOC (pH 5.5): 1264.21; (8)ACD/KOC (pH 7.4): 1264.21; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 47.58 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 81.44 cm³; (15)Molar Volume: 241.6 cm³; (16)Polarizability: 32.28×10^-24cm³; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.126 g/cm³; (19)Flash Point: 249.3 °C; (20)Enthalpy of Vaporization: 78.19 kJ/mol; (21)Boiling Point: 511 °C at 760 mmHg; (22)Vapour Pressure: 1.48E-10 mmHg at 25°C.

Preparation: this chemical can be prepared by acrylonitrile and fluorene. This reaction will need solvent dimethylformamide and the yield is about 74%.

9H-Fluorene-9,9-dipropanenitrile can be prepared by acrylonitrile and fluorene

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(CCC#N)CCC#N
(2)InChI: InChI=1S/C19H16N2/c20-13-5-11-19(12-6-14-21)17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10H,5-6,11-12H2
(3)InChIKey: COWHDUMHYFLLER-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
rat	LD50	oral	2180mg/kg (2180mg/kg)		Industrial Hygiene Foundation of America, Chemical and Toxicological Series, Bulletin. Vol. 6, Pg. 1, 1967.

Product Name

9,9-BIS(2-CYANOETHYL)FLUORENE

9H-Fluorene-9,9-dipropanenitrile Specification

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