Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-(Benzyloxy)benzene-1-sulfonyl chloride |
EINECS | N/A |
CAS No. | 87001-32-9 | Density | 1.341 |
PSA | 51.75000 | LogP | 4.27390 |
Solubility | N/A | Melting Point |
0°C |
Formula | C13H11ClO3S | Boiling Point | 427 °C at 760 mmHg |
Molecular Weight | 282.748 | Flash Point | 212 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39-36/37 | Risk Codes | 34-43 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-BENZYLOXY-BENZENESULFONYL CHLORIDE;4-(BENZYLOXY)BENZENE-1-SULFONYL CHLORIDE |
Article Data | 25 |
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