2,5-DICHLORO-3,4-DINITROTHIOPHENE

The CAS register number of Thiophene,2,5-dichloro-3,4-dinitro- is 51584-21-5. It also can be called as 2,5-Dichloro-3,4-dinitrothiophene, 97+% and the systematic name about this chemical is 2,5-dichloro-3,4-dinitrothiophene. The molecular formula about this chemical is C₄Cl₂N₂O₄S and the molecular weight is 243.02.

Physical properties about Thiophene,2,5-dichloro-3,4-dinitro- are: (1)ACD/LogP: 2.43; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 119.88 Å²; (5)Index of Refraction: 1.674; (6)Molar Refractivity: 47.51 cm³; (7)Molar Volume: 126.4 cm³; (8)Polarizability: 18.83x10^-24cm³; (9)Surface Tension: 75.7 dyne/cm; (10)Density: 1.921 g/cm³; (11)Flash Point: 182.8 °C; (12)Enthalpy of Vaporization: 60.21 kJ/mol; (13)Boiling Point: 378.7 °C at 760 mmHg; (14)Vapour Pressure: 1.35E-05 mmHg at 25 °C.

Preparation: this chemical can be prepared by 2,5-dichloro-thiophene. This reaction will need reagent of sulfuric acid, nitric acid.

Uses of Thiophene,2,5-dichloro-3,4-dinitro-: it can be used to produce 3-(5-chloro-3,4-dinitro-thiophen-2-ylsulfanyl)-propionic acid methyl ester with 3-mercapto-propionic acid methyl ester. This reaction will need solvent of dimethylformamide. The reaction time is 10 hours with ambient temperature. The yield is about 42%.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to store it, keep the container tightly closed and sealed in dry and cool places. If you store and use this chemical according the rule, it will not be decomposed. Please ensure that the workshop is well ventilated or equipped with exhaust device.

You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1c([N+]([O-])=O)c(Cl)sc1Cl
(2)InChI: InChI=1/C4Cl2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3
(3)InChIKey: UNRSLHGBQKYYSF-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C4Cl2N2O4S/c5-3-1(7(9)10)2(8(11)12)4(6)13-3
(5)Std. InChIKey: UNRSLHGBQKYYSF-UHFFFAOYSA-N