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CAS No.: | 42382-92-3 |
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Name: | 1,3-DIOXO-2-INDANECARBONITRILE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C10H5NO2 |
Molecular Weight: | 171.155 |
Synonyms: | 2-Indancarbonitrile,1,3-dioxo- (6CI,7CI);2-Cyano-1,3-indandione;NSC 163143; |
Density: | 1.36 g/cm3 |
Boiling Point: | 418.7 °C at 760 mmHg |
Flash Point: | 207 °C |
PSA: | 57.93000 |
LogP: | 1.20538 |
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The 1H-Indene-2-carbonitrile,2,3-dihydro-1,3-dioxo-, with the CAS registry number 42382-92-3, is also known as 1,3-Dioxo-2-indanecarbonitrile. This chemical's molecular formula is C10H5NO2 and molecular weight is 171.1522. Its IUPAC name is called 1,3-dioxoindene-2-carbonitrile.
Physical properties of 1H-Indene-2-carbonitrile,2,3-dihydro-1,3-dioxo-: (1)ACD/LogP: 0.60; (2)#H bond acceptors: 3; (3)Index of Refraction: 1.608; (4)Molar Refractivity: 43.37 cm3; (5)Molar Volume: 125.3 cm3; (6)Surface Tension: 61 dyne/cm; (7)Density: 1.36 g/cm3; (8)Flash Point: 207 °C; (9)Enthalpy of Vaporization: 67.22 kJ/mol; (10)Boiling Point: 418.7 °C at 760 mmHg; (11)Vapour Pressure: 3.23E-07 mmHg at 25°C.
Uses of 1H-Indene-2-carbonitrile,2,3-dihydro-1,3-dioxo-: it can be used to produce 2-(benzo[1,3]dioxol-5-yl-phenylamino-methyl)-1,3-dioxo-indan-2-carbonitrile with benzo[1,3]dioxol-4-ylmethylene-phenyl-amine by heating. This reaction will need solvent ethanol with reaction time of 1 hour. The yield is about 56%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(C2=O)C#N
(2)InChI: InChI=1S/C10H5NO2/c11-5-8-9(12)6-3-1-2-4-7(6)10(8)13/h1-4,8H
(3)InChIKey: GKEKUQYTCADDSQ-UHFFFAOYSA-N