Basic information
- CAS
121-63-1- Standard SMILES
O=S(=O)(Cl)c1ccc(Oc2ccc(S(=O)(=O)Cl)cc2)cc1- InChIKey
HJKXLQIPODSWMB-UHFFFAOYSA-N- Molecular formula
- C12H8Cl2O5S2
- Average molar mass
- 367.2 g/mol
- Monoisotopic mass
- 365.9190211
Names & identifiers
- Preferred name
- Bis(4-chlorosulfonylphenyl) ether
- IUPAC
- 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
- English name
- 4,4'-Bis(chlorosulfonyl)diphenyl ether
- Molecular formula
- C12H8Cl2O5S2
- Molecular weight
- 367.22
Names & synonyms
121-63-1Bis(4-chlorosulfonylphenyl) ether4,4'-Bis(chlorosulfonyl)diphenyl ether4,4'-OXYBIS(BENZENESULFONYL CHLORIDE)4,4'-Oxydibenzenesulfonyl chlorideBenzenesulfonyl chloride, 4,4'-oxybis-Oxybis(4-benzenesulfonyl chloride)Oxybis(benzenesulfonyl chloride)4,4'-Oxybenzenesulfonylchloride4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloridePhenoxybenzene-4,4'-disulfonyl chlorideDiphenyl ether 4,4'-disulfonyl chloride
Show more names
OBSCP,P-Oxybisbe4,4'-Bis(chlorosulfonyl)oxybis(benzenesulfonylchloride)P,P-Oxybisbenzenesulfonylchloride4,4’-oxydibenzenesulfonylchloride4,4’-oxydi-benzenesulfonylchloridoxybis(4-benzenesulfonylchloride)
p,p'-Oxybis(benzenesulfonyl chloride)Benzenesulfonyl chloride, 4,4'-oxydi-NSC 2124,4'-Oxybis(benzene-1-sulphonyl) dichlorideMFCD00024884D24HP42U4TNSC-2124,4/'-Bis(chlorosulfonyl)diphenyl ether
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 483
Experimental & physicochemical properties
Chemical ClassesToxic Gases & Vapors -> Acid Halides
Physical DescriptionWhite solid; Reacts with water; [MSDSonline]
Physicochemical properties
- Melting point
- 124 · 124-127°C
- Boiling point
- 471.8 · 471.8±30.0 °C(Predicted)
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO, Ethyl Acetate (Slightly)
- form
- Solid
- color
- White to Off-White
- Sensitive
- Moisture Sensitive
- BRN
- 2169540 · 2169540
- Stability
- Moisture Sensitive
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 4,4'-oxybis(benzene-1-sulphonyl) dichloride (EC: 204-488-8)
Hazards SummaryA corrosive substance that can cause injury to the skin, eyes, and respiratory tract; [MSDSonline] See Diphenyl ether.
Hazard Classes and CategoriesMet. Corr. 1 (33.3%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- tsca
- TSCA listed
- ridadr
- 3261
- hs_code
- 29350090
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
Chemistry & industry
Uses & manufacturing
Uses
Used as a chemical intermediate (e.g., for polyarylsulfones and its dihydrazide derivative); [HSDB]
CHEMICAL INTERMEDIATE, EG, FOR POLYARYLSULFONES
CHEM INT FOR ITS DIHYDRAZIDE DERIV, A BLOWING AGENT
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) No Data
(1981) No Data
U.S. Production
(1979) No Data
(1981) No Data
Methods of ManufacturingPROBABLY BY CHLOROSULFONATION OF DIPHENYL ETHER WITH CHLOROSULFONIC ACID
General Manufacturing InformationBenzenesulfonyl chloride, 4,4'-oxybis-: ACTIVE
Applications
Uses4,4’-Oxydibenzenesulfonyl Chloride is useful as an intermediate for blowing agents for rubber or resin.
Uses4,4'-Bis(chlorosulfonyl)diphenyl ether can be used in organic synthesis, pharmaceutical, also is a plasticizer. It Is agent intermediates of OBSH foaming.
Preparation methods
PreparationPreparation of 4,4'-bis(chlorosulphonyl)diphenyl ether: Slowly add chlorosulphuric acid (20 mL) to diphenyl ether (8.5 g). Stir the reaction mixture at room temperature for 2 h. Pour the mixture into 200 mL of ice-cold water. Collect the crude bis(chlorosulphonyl) diphenyl ether by filtration. Wash the white solid with water. Dry the solid under reduced pressure to afford the title compound, 4,4'-bis(chlorosulphonyl) diphenyl ether.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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