3,5-DINITRO-4-METHOXYBENZENE1-SULFONYL CHLORIDE

The CAS registry number of Benzenesulfonylchloride, 4-methoxy-3,5-dinitro- is 175203-74-4. This chemical is also named as 3,5-Dinitro-4-methoxybenzene1-sulfonyl chloride. In addition, its molecular formula is C₇H₅ClN₂O₇S and molecular weight is 296.64. Its systematic name and IUPAC name are the same which is called 4-methoxy-3,5-dinitrobenzenesulfonyl chloride.

Physical properties about Benzenesulfonylchloride, 4-methoxy-3,5-dinitro- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 2.62; (5)ACD/BCF (pH 5.5): 58.14; (6)ACD/BCF (pH 7.4): 58.14; (7)ACD/KOC (pH 5.5): 637.69; (8)ACD/KOC (pH 7.4): 637.69; (9)#H bond acceptors: 9; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 58.83 cm³; (14)Molar Volume: 173.7 cm³; (15)Surface Tension: 65.8 dyne/cm; (16)Density: 1.707 g/cm³; (17)Flash Point: 239.8 °C; (18)Enthalpy of Vaporization: 70.78 kJ/mol; (19)Boiling Point: 472.9 °C at 760 mmHg.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1OC)S(Cl)(=O)=O
(2)InChI: InChI=1/C7H5ClN2O7S/c1-17-7-5(9(11)12)2-4(18(8,15)16)3-6(7)10(13)14/h2-3H,1H3
(3)InChIKey: QSJODFKEHYDNRE-UHFFFAOYAC