4-Bromo-3-methylbenzenesulphonyl chloride (72256-93-0)

The 4-Bromo-3-methylbenzenesulfonyl chloride is a kind of organic compounds with cas registry number of 72256-93-0. It is also known as 6-Bromotoluene-3-sulfonyl chloride. Both its systematic name and IUPAC name are the same which is called 4-bromo-3-methylbenzenesulfonyl chloride. This chemical is sensitive to moisture.

The physical properties about this chemical are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 260.36; (6)ACD/BCF (pH 7.4): 260.36; (7)ACD/KOC (pH 5.5): 1865; (8)ACD/KOC (pH 7.4): 1865; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.579; (13)Molar Refractivity: 52.74 cm³; (14)Molar Volume: 158.5 cm³ ; (15)Surface Tension: 45.3 dyne/cm; (16)Density: 1.7 g/cm³; (17)Flash Point: 142 °C; (18)Enthalpy of Vaporization: 53.01 kJ/mol; (19)Boiling Point: 311.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00104 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. Therefore, you'd better wear suitable protective clothing, gloves and eye/face protection during using it. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In addition, 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: Brc1ccc(cc1C)S(Cl)(=O)=O;
(2)InChI: InChI=1/C7H6BrClO2S/c1-5-4-6(12(9,10)11)2-3-7(5)8/h2-4H,1H3;
(3)InChIKey: JRNDXUKMWFVEIC-UHFFFAOYAI