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| Name |
Benzenesulfonyl chloride,4-(4-chlorophenoxy)-3,5-difluoro- |
EINECS | N/A |
| CAS No. | 549547-34-4 | Density | 1.563 g/cm3 |
| PSA | 51.75000 | LogP | 5.41880 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H6Cl2F2O3S | Boiling Point | 341.102 °C at 760 mmHg |
| Molecular Weight | 339.142 | Flash Point | 160.093 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-(4-Chloro-phenoxy)-3,5-difluoro-benzenesulfonyl chloride; |
Benzenesulfonyl chloride,4-(4-chlorophenoxy)-3,5-difluoro- Specification
The Benzenesulfonyl chloride,4-(4-chlorophenoxy)-3,5-difluoro-, with the CAS registry number 549547-34-4, has the systematic name of 4-(4-chlorophenoxy)-3,5-difluorobenzenesulfonyl chloride. And the molecular formula of the chemical is C12H6Cl2F2O3S.
The characteristics of Benzenesulfonyl chloride,4-(4-chlorophenoxy)-3,5-difluoro- are as followings: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 51.75 Å2; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 71.901 cm3; (9)Molar Volume: 217.046 cm3; (10)Polarizability: 28.504×10-24cm3; (11)Surface Tension: 46.381 dyne/cm; (12)Density: 1.563 g/cm3; (13)Flash Point: 160.093 °C; (14)Enthalpy of Vaporization: 56.158 kJ/mol; (15)Boiling Point: 341.102 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc2ccc(Oc1c(F)cc(cc1F)S(Cl)(=O)=O)cc2
(2)InChI: InChI=1/C12H6Cl2F2O3S/c13-7-1-3-8(4-2-7)19-12-10(15)5-9(6-11(12)16)20(14,17)18/h1-6H
(3)InChIKey: NBWITVOFJWJOEF-UHFFFAOYAX
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