Basic Information | Post buying leads | Suppliers |
Name |
Benzenesulfonylchloride, 4-(2-methoxyphenoxy)- |
EINECS | N/A |
CAS No. | 690632-30-5 | Density | 1.353 g/cm3 |
PSA | 60.98000 | LogP | 4.49580 |
Solubility | N/A | Melting Point |
54 °C |
Formula | C13H11ClO4S | Boiling Point | 398.7 °C at 760 mmHg |
Molecular Weight | 298.747 | Flash Point | 194.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 36/37 | Risk Codes | 43 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
4-(2-Methoxyphenoxy)benzenesulfonylchloride;4-(2-Methoxyphenoxy)benzenesulphonyl chloride; |
The Benzenesulfonylchloride, 4-(2-methoxyphenoxy)-, with the CAS registry number 690632-30-5, is also known as 4-(2-Methoxyphenoxy)benzenesulphonyl chloride. This chemical's molecular formula is C13H11ClO4S and formula weight is 298.74. What's more, its IUPAC name is 4-(2-methoxyphenoxy)benzenesulfonyl chloride. It is irritant.
Physical properties of Benzenesulfonylchloride, 4-(2-methoxyphenoxy)- are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/BCF (pH 5.5): 187.02; (5)ACD/KOC (pH 5.5): 1471.71; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 60.98 Å2; (10)Index of Refraction: 1.577; (11)Molar Refractivity: 73.21 cm3; (12)Molar Volume: 220.6 cm3; (13)Surface Tension: 45.5 dyne/cm; (14)Density: 1.353 g/cm3; (15)Flash Point: 194.9 °C; (16)Enthalpy of Vaporization: 62.4 kJ/mol; (17)Boiling Point: 398.7 °C at 760 mmHg; (18)Vapour Pressure: 3.33E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc(Oc1ccccc1OC)cc2
(2)InChI: InChI=1S/C13H11ClO4S/c1-17-12-4-2-3-5-13(12)18-10-6-8-11(9-7-10)19(14,15)16/h2-9H,1H3
(3)InChIKey: DKNWPXFCLUKCQB-UHFFFAOYSA-N