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CAS No.: | 610277-84-4 |
---|---|
Name: | 4-(2-CHLOROPHENOXY)BENZENESULFONYL CHLORIDE |
Molecular Structure: | |
Formula: | C12H8Cl2O3S |
Molecular Weight: | 303.166 |
Synonyms: | 4-(2-Chlorophenoxy)benzenesulfonylchloride; |
Density: | 1.453 g/cm3 |
Melting Point: | 89-94℃ |
Boiling Point: | 380.2 °C at 760 mmHg |
Flash Point: | 183.7 °C |
Hazard Symbols: | Xi |
Risk Codes: | 34 |
Safety: | 26-36/37/39-45 |
PSA: | 51.75000 |
LogP: | 5.14060 |
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This chemical is called Benzenesulfonyl chloride, 4-(2-chlorophenoxy)-, and its systematic name is 4-(2-chlorophenoxy)benzenesulfonyl chloride. With the molecular formula of C12H8Cl2O3S, its molecular weight is 303.16. The CAS registry number of this chemical is 610277-84-4.
Other characteristics of the Benzenesulfonyl chloride, 4-(2-chlorophenoxy)- can be summarised as followings: (1)ACD/LogP: 4.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.96; (4)ACD/LogD (pH 7.4): 4.96; (5)ACD/BCF (pH 5.5): 3475.24; (6)ACD/BCF (pH 7.4): 3475.24; (7)ACD/KOC (pH 5.5): 11918.76; (8)ACD/KOC (pH 7.4): 11918.76; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.75 Å2; (13)Index of Refraction: 1.603; (14)Molar Refractivity: 71.67 cm3; (15)Molar Volume: 208.6 cm3; (16)Polarizability: 28.41×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.453 g/cm3; (19)Flash Point: 183.7 °C; (20)Enthalpy of Vaporization: 60.37 kJ/mol; (21)Boiling Point: 380.2 °C at 760 mmHg; (22)Vapour Pressure: 1.21E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccccc2Oc1ccc(cc1)S(Cl)(=O)=O
2.InChI: InChI=1/C12H8Cl2O3S/c13-11-3-1-2-4-12(11)17-9-5-7-10(8-6-9)18(14,15)16/h1-8H
3.InChIKey: ILZBGLOVCXTRDS-UHFFFAOYAE