Basic information
- Name:
Benzenesulfonylchloride, 4,4'-oxybis-
- Superlist Name:
- 4,4'-Bis(chlorosulfonyl)diphenyl ether
- CAS No.:
121-63-1
- Molecular Structure:
- Formula:
- C12H8Cl2O5S2
- Molecular Weight:
- 367.22
- Synonyms:
- Benzenesulfonylchloride, 4,4'-oxydi- (7CI,8CI);4,4'-Bis(chlorosulfonyl)biphenyl ether;4,4'-Oxybis(benzenesulfonyl chloride);4,4'-Oxydibenzenesulfonyl chloride;Bis(4-chlorosulfonylphenyl) ether;Diphenylether 4,4'-disulfonyl chloride;NSC 212;Oxybis(4-benzenesulfonyl chloride);Oxybis(benzenesulfonyl chloride);Phenoxybenzene-4,4'-disulfonyl chloride;p,p'-Oxybis(benzenesulfonyl chloride);
- EINECS:
- 204-488-8
- Density:
- 1.573 g/cm3
- Melting Point:
- 124-127°C
- Boiling Point:
- 471.8 °C at 760 mmHg
- Flash Point:
- 239.1 °C
- Hazard Symbols:
C- Risk Codes:
- 34
- Safety Description:
- 36/37/39 Details
- Transport Information:
- UN 3261
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Specification
The Benzenesulfonylchloride, 4,4'-oxybis-, with the CAS registry number 121-63-1, is also known as Diphenylether 4,4'-disulfonyl chloride. It belongs to the product categories of Diphenyl Ethers (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research. Its EINECS number is 204-488-8. This chemical's molecular formula is C12H8Cl2O5S2 and molecular weight is 367.22. What's more, its systematic name is 4,4'-oxydibenzenesulfonyl chloride.
Physical properties of Benzenesulfonylchloride, 4,4'-oxybis- are: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.95; (4)ACD/LogD (pH 7.4): 4.95; (5)ACD/BCF (pH 5.5): 3427.4; (6)ACD/BCF (pH 7.4): 3427.4; (7)ACD/KOC (pH 5.5): 11801.11; (8)ACD/KOC (pH 7.4): 11801.11; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 94.27 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 80.49 cm3; (15)Molar Volume: 233.3 cm3; (16)Polarizability: 31.91×10-24cm3; (17)Surface Tension: 53.6 dyne/cm; (18)Density: 1.573 g/cm3; (19)Flash Point: 239.1 °C; (20)Enthalpy of Vaporization: 70.65 kJ/mol; (21)Boiling Point: 471.8 °C at 760 mmHg; (22)Vapour Pressure: 1.28E-08 mmHg at 25°C.
Preparation of Benzenesulfonylchloride, 4,4'-oxybis-: this chemical can be prepared by diphenyl ether at the temperature of 50 - 70 °C. This reaction will need reagents chlorosulfonic acid, KCl with the reaction time of 3 hours. The yield is about 92%.
Uses of Benzenesulfonylchloride, 4,4'-oxybis-: it can be used to produce 4,4'-oxy-bis-thiophenol at the temperature of 85 °C. It will need reagents Zn, HCl, H2O and solvent toluene with the reaction time of 2 hours. The yield is about 95%.
When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: ClS(=O)(=O)c2ccc(Oc1ccc(cc1)S(Cl)(=O)=O)cc2
(2)Std. InChI: InChI=1S/C12H8Cl2O5S2/c13-20(15,16)11-5-1-9(2-6-11)19-10-3-7-12(8-4-10)21(14,17)18/h1-8H
(3)Std. InChIKey: HJKXLQIPODSWMB-UHFFFAOYSA-N
