Propanedinitrile,2-[1-(2-thienyl)ethylidene]- supplier

Name
2-[1-(2-THIENYL)ETHYLIDENE]MALONONITRILE
EINECS
CAS No. 10432-44-7
Article Data16
CAS DataBase
Density 1.219 g/cm³
Solubility
Melting Point 88-90 °C
Formula C₉H₆N₂S
Boiling Point 296.3 °C at 760 mmHg
Molecular Weight 174.226
Flash Point 133 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Malononitrile,(a-methyl-2-thenylidene)- (7CI,8CI);Propanedinitrile,[1-(2-thienyl)ethylidene]- (9CI);NSC 98302;a-Cyano-b-(2-thienyl)crotononitrile;
PSA 75.82000
LogP 2.56876

Propanedinitrile,2-[1-(2-thienyl)ethylidene]- Specification

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%.

this chemical can be prepared by 1-thiophen-2-yl-ethanone; malononitrile

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%.

Propanedinitrile,2-[1-(2-thienyl)ethylidene]-: it can be used to produce 2-(3-piperidin-1-yl-1-thiophen-2-yl-allylidene)-malononitrile

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

Product Name

2-[1-(2-THIENYL)ETHYLIDENE]MALONONITRILE

Propanedinitrile,2-[1-(2-thienyl)ethylidene]- Specification

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