4-N-BUTYLBENZENESULFONYL CHLORIDE

The IUPAC name of 4-Butylbenzene-1-sulfonyl chloride is 4-butylbenzenesulfonyl chloride. With the CAS registry number 54997-92-1, it is also named as Benzenesulfonylchloride, 4-butyl-. The product is moisture sensitive. Besides, it is liquid, which should be stored in tightly sealed container in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C₁₀H₁₃ClO₂S and molecular weight is 232.73.

The other characteristics of 4-Butylbenzene-1-sulfonyl chloride can be summarized as: (1)ACD/LogP: 4.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 694.12; (6)ACD/BCF (pH 7.4): 694.12; (7)ACD/KOC (pH 5.5): 3762.72; (8)ACD/KOC (pH 7.4): 3762.72; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 58.91 cm³; (15)Molar Volume: 191.9 cm³; (16)Polarizability: 23.35×10^-24cm³; (17)Surface Tension: 39.3 dyne/cm; (18)Density: 1.212 g/cm³; (19)Flash Point: 141.4 °C; (20)Melting Point: 13-15 °C; (21)Enthalpy of Vaporization: 52.9 kJ/mol; (22)Boiling Point: 310.1 °C at 760 mmHg; (23)Vapour Pressure: 0.00112 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it reacts violently with water and liberates toxic gas if contact with water, so please keep container dry. And never add water to this product. Moreover, it is harmful by inhalation, in contact with skin and if swallowed. It also may cause burns. Please do not breathe dust. 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. Please take off immediately all contaminated clothing. Furthermore, 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: ClS(=O)(=O)c1ccc(cc1)CCCC
(2)InChI: InChI=1/C10H13ClO2S/c1-2-3-4-9-5-7-10(8-6-9)14(11,12)13/h5-8H,2-4H2,1H3
(3)InChIKey: OVFZELSNOHIDEF-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C15H12ClF2NO2/c1-9-2-3-10(6-12(9)16)19-15(20)8-21-11-4-5-13(17)14(18)7-11/h2-7H,8H2,1H3,(H,19,20)
(5)Std. InChIKey: XTVROHRYNBWDMC-UHFFFAOYSA-N