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Name |
2-Propenenitrile, 3-(2-thienyl)- |
EINECS | 227-928-0 |
CAS No. | 6041-28-7 | Density | 1.193 g/cm3 |
PSA | 52.03000 | LogP | 2.28488 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H5NS | Boiling Point | 264.3 °C at 760 mmHg |
Molecular Weight | 135.189 | Flash Point | 113.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-Thiopheneacrylonitrile(7CI,8CI);3-(2-Thienyl)acrylonitrile;b-(2-Thienyl)carbonitrile; |
Article Data | 30 |
This chemical is called 2-Propenenitrile, 3-(2-thienyl)-, and its CAS registry number is 6041-28-7. With the molecular formula of C7H5NS, its molecular weight is 135.19.
Other characteristics of the 2-Propenenitrile, 3-(2-thienyl)- can be summarised as followings: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 52.03 Å2; (7)Index of Refraction: 1.632; (8)Molar Refractivity: 40.44 cm3; (9)Molar Volume: 113.2 cm3; (10)Polarizability: 16.03×10-24cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Density: 1.193 g/cm3; (13)Flash Point: 113.6 °C; (14)Enthalpy of Vaporization: 50.22 kJ/mol; (15)Boiling Point: 264.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00979 mmHg at 25°C.
Production method of this chemical: The 2-Propenenitrile, 3-(2-thienyl)- could be obtained by the reactants of 2-iodo-thiophene and acrylonitrile. This reaction needs the reagent of K2CO3, Pd(OAc)3, and the solvent of hexamethylphosphoric acid triamide. The yield is 85 %. In addition, this reaction should be taken for 2.5 hours at the temperature of 100 °C.
Uses of this chemical: The 3,4-di-thiophen-2-yl-cyclobutane-1,2-dicarbonitrile could be obtained by the 2-Propenenitrile, 3-(2-thienyl)-. This reaction needs the reagent of benzophenone, and the solvent of acetone. The yield is 34 %. In addition, this reaction should be taken for 3 days.
You can still convert the following datas into molecular structure:
1.SMILES: N#C\C=C\c1sccc1
2.InChI: InChI=1/C7H5NS/c8-5-1-3-7-4-2-6-9-7/h1-4,6H/b3-1+
3.InChIKey: CONLQGNBFRQUBX-HNQUOIGGBQ