Propanedinitrile,2-(9H-fluoren-9-ylidene)- supplier

Name
9-(DICYANOMETHYLENE)FLUORENE
EINECS
CAS No. 1989-32-8
Article Data14
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point 237-238 °C
Formula C₁₆H₈N₂
Boiling Point 405.856 °C at 760 mmHg
Molecular Weight 228.253
Flash Point 196.929 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Fluorene-D9,a-malononitrile (7CI,8CI);Propanedinitrile,9H-fluoren-9-ylidene- (9CI);3,4-Dibenzofulvene-6,6-dicarbonitrile;2-(9H-Fluoren-9-ylidene)malononitrile;9-Dicyanomethylenefluorene;Dicyano(fluoren-9-ylidene)methane;Fluoren-9-ylidenemalononitrile;NSC 61802;
PSA 47.58000
LogP 3.51606

Propanedinitrile,2-(9H-fluoren-9-ylidene)- Specification

The CAS registry number of Propanedinitrile,2-(9H-fluoren-9-ylidene)- is 1989-32-8. This chemical is also named as 9-(Dicyanomethylene)fluorene. In addition, its molecular formula is C₁₆H₈N₂ and molecular weight is 228.25. Its IUPAC name is called 2-fluoren-9-ylidenepropanedinitrile.

Physical properties about Propanedinitrile,2-(9H-fluoren-9-ylidene)- are: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.694; (4)ACD/LogD (pH 7.4): 3.694; (5)ACD/BCF (pH 5.5): 377.82; (6)ACD/BCF (pH 7.4): 377.82; (7)ACD/KOC (pH 5.5): 2434.585; (8)ACD/KOC (pH 7.4): 2434.585; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.683; (13)Molar Refractivity: 67.101 cm³; (14)Molar Volume: 176.984 cm³; (15)Surface Tension: 65.52 dyne/cm; (16)Density: 1.29 g/cm³; (17)Flash Point: 196.929 °C; (18)Enthalpy of Vaporization: 65.75 kJ/mol; (19)Boiling Point: 405.856 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by malononitrile and 2-(9-fluorenylidene)indane-1,3-dione. This reaction will need solvents pyridine, benzene. The reaction temperature is 20 °C. The yield is about 60 %.

Propanedinitrile,2-(9H-fluoren-9-ylidene)- can be prepared by malononitrile and 2-(9-fluorenylidene)indane-1,3-dione

Uses of Propanedinitrile,2-(9H-fluoren-9-ylidene)-: it can be used to produce 9-dicyanomethylfluorene at temperature of 20 °C. This reaction is a kind of Reduction. It will need reagent 1-benzyl-1,4-dihydronicotinamide and solvent acetonitrile with reaction time of 16 hours. The yield is about 86 %.

Propanedinitrile,2-(9H-fluoren-9-ylidene)- can be used to produce 9-dicyanomethylfluorene

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)-c3ccccc3C2=C(C#N)C#N
(2)InChI: InChI=1/C16H8N2/c17-9-11(10-18)16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8H
(3)InChIKey: DBJKIYVWFSACIT-UHFFFAOYAH

Product Name

9-(DICYANOMETHYLENE)FLUORENE

Propanedinitrile,2-(9H-fluoren-9-ylidene)- Specification

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