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CAS No.: | 10432-44-7 |
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Name: | 2-[1-(2-THIENYL)ETHYLIDENE]MALONONITRILE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C9H6N2S |
Molecular Weight: | 174.226 |
Synonyms: | Malononitrile,(a-methyl-2-thenylidene)- (7CI,8CI);Propanedinitrile,[1-(2-thienyl)ethylidene]- (9CI);NSC 98302;a-Cyano-b-(2-thienyl)crotononitrile; |
Density: | 1.219 g/cm3 |
Melting Point: | 88-90 °C |
Boiling Point: | 296.3 °C at 760 mmHg |
Flash Point: | 133 °C |
PSA: | 75.82000 |
LogP: | 2.56876 |
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The Propanedinitrile,2-[1-(2-thienyl)ethylidene]-, with the CAS registry number 10432-44-7, is also known as Malononitrile,(a-methyl-2-thenylidene)- (7CI,8CI). This chemical's molecular formula is C9H6N2S and molecular weight is 174.22. What's more, its systematic name is [1-(thiophen-2-yl)ethylidene]propanedinitrile.
Physical properties of Propanedinitrile,2-[1-(2-thienyl)ethylidene]- are: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 75.82 Å2; (7)Index of Refraction: 1.588; (8)Molar Refractivity: 48.1 cm3; (9)Molar Volume: 142.8 cm3; (10)Polarizability: 19.07×10-24 cm3; (11)Surface Tension: 53.3 dyne/cm; (12)Density: 1.219 g/cm3; (13)Flash Point: 133 °C; (14)Enthalpy of Vaporization: 53.61 kJ/mol; (15)Boiling Point: 296.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00144 mmHg at 25 °C.
Preparation: this chemical can be prepared by 1-thiophen-2-yl-ethanone; malononitrile. This reaction will need reagent b-alanine and solvent benzene acetic acid with the reaction time of 2 hours. The yield is about 72%.
Uses of Propanedinitrile,2-[1-(2-thienyl)ethylidene]-: it can be used to produce 2-(3-piperidin-1-yl-1-thiophen-2-yl-allylidene)-malononitrile. It will need reagent glacial AcOH with the reaction time of 3 hour. The yield is about 62%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=C(C#N)C#N)C1=CC=CS1
(2)InChI: InChI=1S/C9H6N2S/c1-7(8(5-10)6-11)9-3-2-4-12-9/h2-4H,1H3
(3)InChIKey: IVSVAOOOAGLVJQ-UHFFFAOYSA-N