5-CHLORO-4-NITROTHIOPHENE-2-SULFONYL CHLORIDE

The systematic name of 2-Chloro-3-nitrothiophene-5-sulphonyl chloride is 5-chloro-4-nitrothiophene-2-sulfonyl chloride. With the CAS registry number 58457-24-2, it is also named as 2-Thiophenesulfonylchloride, 5-chloro-4-nitro-. The product's category is Intermediate in Organic Synthesis. Besides, it is cream-colored or orange powder, which should be stored in sealed containers in a dry, cool place. In addition, its molecular formula is C₄HCl₂NO₄S₂ and molecular weight is 262.09.

The other characteristics of 2-Chloro-3-nitrothiophene-5-sulphonyl chloride can be summarized as: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 57.13; (6)ACD/BCF (pH 7.4): 57.13; (7)ACD/KOC (pH 5.5): 629.79; (8)ACD/KOC (pH 7.4): 629.79; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 116.58 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 49.4 cm³; (15)Molar Volume: 139.3 cm³; (16)Polarizability: 19.58×10^-24cm³; (17)Surface Tension: 68.7 dyne/cm; (18)Density: 1.88 g/cm³; (19)Flash Point: 194.8 °C; (20)Melting point: 50-52 °C; (21)Enthalpy of Vaporization: 62.37 kJ/mol; (22)Boiling Point: 398.4 °C at 760 mmHg; (23)Vapour Pressure: 3.39E-06 mmHg at 25 °C.

Preparation of 2-Chloro-3-nitrothiophene-5-sulphonyl chloride: this chemical can be prepared by 5-chloro-thiophene-2-sulfonyl chloride.



This reaction needs aq. HNO₃ at temperature of 40 - 60 °C. The reaction time is 3 hours. The yield is 74 %.

When you are using this chemical, please be cautious about it as the following: it may cause burns. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing, gloves and eye/face protection. Moreover, in case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
(1)SMILES: O=[N+]([O-])c1cc(sc1Cl)S(Cl)(=O)=O
(2)InChI: InChI=1/C4HCl2NO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H
(3)InChIKey: SGHAHFHTASPNKN-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4HCl2NO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H
(5)Std. InChIKey: SGHAHFHTASPNKN-UHFFFAOYSA-N