CAS No.10478-99-6,2-[4(1H)-PYRIDINYLIDENE]INDAN-1,3-DIONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10478-99-6
Name:	2-[4(1H)-PYRIDINYLIDENE]INDAN-1,3-DIONE
Article Data:	3

Formula:	C₁₄H₉NO₂
Molecular Weight:	223.231
Synonyms:	1,3-Indandione,2-(4-pyridyl)- (8CI);
Density:	1.365 g/cm³
Boiling Point:	357.9 °C at 760 mmHg
Flash Point:	148.1 °C
Risk Codes:	36/37/38
Safety:	26-36/37/39
PSA:	49.93000
LogP:	1.52570

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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