4-(Benzyloxy)benzene-1-sulfonyl chloride (87001-32-9)

The 4-(Benzyloxy)benzene-1-sulfonyl chloride , with cas registry number of 87001-32-9, has other names including 4-(Benzyloxy)benzenesulfonyl chloride ; Benzenesulfonyl chloride, 4-(phenylmethoxy)- . Its IUPAC name is called 4-phenylmethoxybenzenesulfonyl chloride . And its systematic name is 4-(benzyloxy)benzenesulfonyl chloride .

Physical properties of 4-(Benzyloxy)benzene-1-sulfonyl chloride are: (1) ACD/LogP: 4.16 ; (2) # of Rule of 5 Violations: 0 ; (3) ACD/LogD (pH 5.5): 4.16 ; (4) ACD/LogD (pH 7.4): 4.16 ; (5) ACD/BCF (pH 5.5): 855.74 ; (6) ACD/BCF (pH 7.4): 855.74 ; (7) ACD/KOC (pH 5.5): 4370.9 ; (8) ACD/KOC (pH 7.4): 4370.9 ; (9) #H bond acceptors: 3 ; (10) #H bond donors: 0 ; (11) #Freely Rotating Bonds: 4 ; (12) Index of Refraction: 1.593 ; (13) Molar Refractivity: 71.47 cm³ ; (14) Molar Volume: 210.7 cm³ ; (15) Surface Tension: 47.9 dyne/cm ; (16) Density: 1.341 g/cm³ ; (17) Flash Point: 212 °C ; (18) Enthalpy of Vaporization: 65.55 kJ/mol ; (19) Boiling Point: 427 °C at 760 mmHg ; (20) Vapour Pressure: 4.23E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 4-(Benzyloxy)benzene-1-sulfonyl chloride causes burns. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES:ClS(=O)(=O)c2ccc(OCc1ccccc1)cc2;
(2) InChI:InChI=1/C13H11ClO3S/c14-18(15,16)13-8-6-12(7-9-13)17-10-11-4-2-1-3-5-11/h1-9H,10H2;
(3) InChIKey:BRTDEKQMIKCPKH-UHFFFAOYAB