3,4-DIMETHYLTHIOPHENE-2,5-DICARBONITRILE

The 2,5-Thiophenedicarbonitrile,3,4-dimethyl-, with the CAS registry number 155632-41-0, is also known as 2,5-Dicyano-3,4-dimethylthiophene. This chemical's molecular formula is C₈H₆N₂S and molecular weight is 162.21. What's more, its systematic name is 3,4-dimethylthiophene-2,5-dicarbonitrile. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 2,5-Thiophenedicarbonitrile,3,4-dimethyl- are: (1)ACD/LogP: 1.30; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 75.82 Å²; (7)Index of Refraction: 1.568; (8)Molar Refractivity: 43.27 cm³; (9)Molar Volume: 132.1 cm³; (10)Polarizability: 17.15×10^-24cm³; (11)Surface Tension: 56.3 dyne/cm; (12)Density: 1.22 g/cm³; (13)Flash Point: 138.6 °C; (14)Enthalpy of Vaporization: 54.59 kJ/mol; (15)Boiling Point: 305.5 °C at 760 mmHg; (16)Vapour Pressure: 0.000818 mmHg at 25°C.

Preparation of 2,5-Thiophenedicarbonitrile,3,4-dimethyl-: this chemical can be prepared by 5-cyano-3,4-dimethyl-thiophene-2-carboxylic acid amide by heating. This reaction will need reagent SOCl₂ with the reaction time of 2.5 hours. The yield is about 91%.

Uses of 2,5-Thiophenedicarbonitrile,3,4-dimethyl-: it can be used to produce 3,4-dimethyl-thiophene-2,5-dicarboxylic acid dimethyl ester by heating. It will need reagent conc. H₂SO₄ with the reaction time of 2.25 hours. The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It is irritating to eyes, respiratory system and skin. This material and its container must be disposed of as hazardous waste. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves and you should not eat or drink. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=C(SC(=C1C)C#N)C#N
(2)InChI: InChI=1S/C8H6N2S/c1-5-6(2)8(4-10)11-7(5)3-9/h1-2H3
(3)InChIKey: KJJOQVQJRGSFGU-UHFFFAOYSA-N