2-Propenenitrile, 3-(2-thienyl)- supplier

Name
3-(THIEN-2-YL)ACRYLONITRILE 97
EINECS 227-928-0
CAS No. 6041-28-7
Article Data30
CAS DataBase
Density 1.193 g/cm³
Solubility
Melting Point
Formula C₇H₅NS
Boiling Point 264.3 °C at 760 mmHg
Molecular Weight 135.189
Flash Point 113.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Thiopheneacrylonitrile(7CI,8CI);3-(2-Thienyl)acrylonitrile;b-(2-Thienyl)carbonitrile;
PSA 52.03000
LogP 2.28488

2-Propenenitrile, 3-(2-thienyl)- Specification

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

Product Name

3-(THIEN-2-YL)ACRYLONITRILE 97

2-Propenenitrile, 3-(2-thienyl)- Specification

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