4-dimethylaminoazobenzene-4'-sulfonyl chloride (56512-49-3)

The 4-Dimethylaminoazobenzene-4'-sulfonyl chloride with the cas number 56512-49-3 is also called Benzenesulfonylchloride, 4-[2-[4-(dimethylamino)phenyl]diazenyl]-. The IUPAC name is 4-[(4-dimethylaminophenyl)diazenyl]benzenesulfonyl chloride. Its EINECS registry number is 260-235-1. The molecular formula is C₁₄H₁₄ClN₃O₂S. This chemical is sensitive to moisture. It should be stored at −20°C.

The properties of the chemical are: (1)ACD/LogP: 4.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.66; (4)ACD/LogD (pH 7.4): 4.66; (5)ACD/BCF (pH 5.5): 2049.3; (6)ACD/BCF (pH 7.4): 2049.56; (7)ACD/KOC (pH 5.5): 8166.36; (8)ACD/KOC (pH 7.4): 8167.39; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 70.48 Å²; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 86.01 cm³; (15)Molar Volume: 249 cm³; (16)Polarizability: 34.09×10^-24cm³; (17)Surface Tension: 47.4 dyne/cm; (18)Enthalpy of Vaporization: 74.87 kJ/mol  ; (19)Vapour Pressure: 1.66×10^-9 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical can cause burns. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of accident or if you feel unwell, you should seek medical advice immediately (show the label whenever possible). Finally, you should take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc(/N=N/c1ccc(N(C)C)cc1)cc2
(2)InChI: InChI=1/C14H14ClN3O2S/c1-18(2)13-7-3-11(4-8-13)16-17-12-5-9-14(10-6-12)21(15,19)20/h3-10H,1-2H3/b17-16+
(3)InChIKey: VTVWTPGLLAELLI-WUKNDPDIBF