5-Bromothiophenesulfonyl chloride

The 5-Bromothiophenesulfonyl chloride, with CAS registry number 55854-46-1, belongs to the following product categories: (1)Fluorobenzene; (2)Sulphonyl Chlorides; (3)Thiophenes & Benzothiophenes; (4)Thiophene intermediates; (5)Sulphonyl Chlorides; (6)Heterocycles; (7)Halogenated Heterocycles; (8)Heterocyclic Building Blocks; (9)Thiophenes; (10)Thiophenes Building Blocks. It has the systematic name of 5-bromothiophene-2-sulfonyl chloride. This chemical is a kind of light yellow crystalline low melting solid.

Physical properties of 5-Bromothiophenesulfonyl chloride: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 91.9; (6)ACD/BCF (pH 7.4): 91.9; (7)ACD/KOC (pH 5.5): 885.05; (8)ACD/KOC (pH 7.4): 885.05; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 70.76 Å²; (13)Index of Refraction: 1.619; (14)Molar Refractivity: 46.26 cm³; (15)Molar Volume: 131.7 cm³; (16)Polarizability: 18.34×10^-24cm³; (17)Surface Tension: 54.5 dyne/cm; (18)Enthalpy of Vaporization: 53.74 kJ/mol; (19)Vapour Pressure: 0.000685 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-bromo-thiophene. This reaction will need reagents sulfuric acid, sulfur trioxide.

Uses of 5-Bromothiophenesulfonyl chloride: it can be used to produce 1-(5-bromo-thiophene-2-sulfonyl)-1H-pyrrole. This reaction will need reagent sodium hydride and solvent tetrahydrofuran. The reaction time is 1 hour(s) with reaction temperature of 25 ℃. The yield is about 74%.

When you are using this chemical, please be cautious about it as the following:
The 5-Bromothiophenesulfonyl chloride irritates to eyes, respiratory system and skin. This chemical is harmful by inhalation, in contact with skin and if swallowed. And this chemical may cause burns. It may also cause sensitization by skin contact. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Cl)c1sc(Br)cc1
(2)InChI: InChI=1/C4H2BrClO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
(3)InChIKey: WGYBIEOLAFYDEC-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C4H2BrClO2S2/c5-3-1-2-4(9-3)10(6,7)8/h1-2H
(5)Std. InChIKey: WGYBIEOLAFYDEC-UHFFFAOYSA-N