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| CAS No.: | 191327-30-7 |
|---|---|
| Name: | 4-(4-Chlorophenoxy)benzenesulfonyl chloride |
| Article Data: | 5 |
| Molecular Structure: | |
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|
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| Formula: | C12H8Cl2O3S |
| Molecular Weight: | 303.166 |
| Synonyms: | 4-(4-Chlorophenoxy)benzenesulfonylchloride;4-(4-Chlorophenyloxy)benzenesulfonylchloride;4-(4-Chlorophenoxy)phenylsulfonyl chloride; |
| Density: | 1.453 g/cm3 |
| Boiling Point: | 396.3 °C at 760 mmHg |
| Flash Point: | 193.5 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:; ">  Xi:; |
| PSA: | 51.75000 |
| LogP: | 5.14060 |
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Specification
The Benzenesulfonylchloride, 4-(4-chlorophenoxy)-, with the CAS registry number 191327-30-7, is also known as 4-(4-Chlorophenoxy)phenylsulfonyl chloride. This chemical's molecular formula is C12H8Cl2O3S and molecular weight is 303.1611. What's more, its systematic name is 4-(4-Chlorophenoxy)benzenesulfonyl chloride. When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin or other mucous membranes.
Physical properties about Benzenesulfonylchloride, 4-(4-chlorophenoxy)-: (1)ACD/LogP: 5.18; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.18; (4)ACD/LogD (pH 7.4): 5.18; (5)ACD/BCF (pH 5.5): 5096.64; (6)ACD/BCF (pH 7.4): 5096.64; (7)ACD/KOC (pH 5.5): 15677.12; (8)ACD/KOC (pH 7.4): 15677.12; (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)Surface Tension: 48.9 dyne/cm; (17)Density: 1.453 g/cm3; (18)Flash Point: 193.5 °C; (19)Enthalpy of Vaporization: 62.14 kJ/mol; (20)Boiling Point: 396.3 °C at 760 mmHg; (21)Vapour Pressure: 3.94E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc2ccc(Oc1ccc(cc1)S(Cl)(=O)=O)cc2
(2) InChI: InChI=1/C12H8Cl2O3S/c13-9-1-3-10(4-2-9)17-11-5-7-12(8-6-11)18(14,15)16/h1-8H
(3) InChIKey: XOXRXINFTQAJBW-UHFFFAOYAG