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2-[4(1H)-pyridinylidene]-1H-indene-1,3(2H)-dione

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Name

2-[4(1H)-pyridinylidene]-1H-indene-1,3(2H)-dione

EINECS N/A
CAS No. 10478-99-6 Density 1.365 g/cm3
PSA 49.93000 LogP 1.52570
Solubility N/A Melting Point N/A
Formula C14H9NO2 Boiling Point 357.9 °C at 760 mmHg
Molecular Weight 223.231 Flash Point 148.1 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 10478-99-6 (2-[4(1H)-PYRIDINYLIDENE]INDAN-1,3-DIONE) Hazard Symbols N/A
Synonyms

1,3-Indandione,2-(4-pyridyl)- (8CI);

Article Data 3

2-[4(1H)-pyridinylidene]-1H-indene-1,3(2H)-dione Specification

The 2-[4(1H)-pyridinylidene]-1H-indene-1,3(2H)-dione is an organic compound with the formula C14H9NO2. The systematic name of this chemical is 2-pyridin-4(1H)-ylidene-1H-indene-1,3(2H)-dione. With the CAS registry number 10478-99-6, it is also named as 1H-indene-1,3(2H)-dione, 2-(4(1H)-pyridinylidene)-. In addition, it should be sealed in the container and stored in the cool and dry place.

The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 37.38 Å2; (7)Index of Refraction: 1.682; (8)Molar Refractivity: 61.94 cm3; (9)Molar Volume: 163.5 cm3; (10)Polarizability: 24.55×10-24 cm3; (11)Surface Tension: 61.1 dyne/cm; (12)Density: 1.365 g/cm3; (13)Flash Point: 148.1 °C; (14)Enthalpy of Vaporization: 60.33 kJ/mol; (15)Boiling Point: 357.9 °C at 760 mmHg; (16)Vapour Pressure: 2.65E-05 mmHg at 25°C.

Preparation of 2-[4(1H)-pyridinylidene]-1H-indene-1,3(2H)-dione: It can be obtained by 4-methyl-pyridine and phthalic acid anhydride. This reaction must react at 180 °C for 24 hours. The yield is 78.9%.

Uses of 2-[4(1H)-pyridinylidene]-1H-indene-1,3(2H)-dione: It can react with bromoethane to get 2-(1-ethyl-1H-pyridin-4-ylidene)-indan-1,3-dione. This reaction needs reagent NaH and solvent dimethylsulfoxide at ambient temperature. The yield is 73.4%.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C2C(/C(=O)c1ccccc12)=C\3/C=C\N/C=C/3
2. InChI:InChI=1/C14H9NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)9-5-7-15-8-6-9/h1-8,15H 
3. InChIKey:RFJVOUZINWUTIG-UHFFFAOYAK

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