CAS RN: 121-63-1
4,4′-Oxybis(benzenesulfonyl Chloride)
Product Availability
Choose a grade to view its available package options.
8 package records8 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260113 | 100g | In stock | Shanghai, Shandong, Chongqing | Inquiry |
| Batchno.20250621 | 100g | In stock | Shanghai | Inquiry |
| Batchno.20260624 | 25g | In stock | Shanghai, Hebei | Inquiry |
| Batchno.20250424 | 25g | In stock | Shanghai | Inquiry |
| Batchno.20250805 | 500g | In stock | Shandong | Inquiry |
| Batchno.20250621 | 500g | In stock | Shenzhen | Inquiry |
| Batchno.20260510 | 5g | In stock | Shanghai, Shandong | Inquiry |
| Batchno.20250703 | 5g | In stock | Shanghai, Chengdu | Inquiry |
- Product code: ICTO0298
- Purity/Analytical Methods: >97.0%(T)
121-63-1 / 4-(4-chlorosulfonylphenoxy)benzenesulfonyl chloride
Bis(4-chlorosulfonylphenyl) ether | 4,4'-Bis(chlorosulfonyl)diphenyl ether | 4,4'-OXYBIS(BENZENESULFONYL CHLORIDE)
Basic Information
CAS
121-63-1
Multi CAS
Yes
Molecular Formula
C12H8Cl2O5S2
Molecular Weight
367.200000
Exact Mass
365.919021
SMILES
C1=CC(=CC=C1OC2=CC=C(C=C2)S(=O)(=O)Cl)S(=O)(=O)Cl
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
InChIKey
HJKXLQIPODSWMB-UHFFFAOYSA-N
Synonyms
Bis(4-chlorosulfonylphenyl) ether
4,4'-Bis(chlorosulfonyl)diphenyl ether
4,4'-OXYBIS(BENZENESULFONYL CHLORIDE)
4,4'-Oxydibenzenesulfonyl chloride
Benzenesulfonyl chloride, 4,4'-oxybis-
Physical Properties
Physical Description
White solid; Reacts with water
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Rotatable bonds
4
H-bond acceptors
5
Molar refractivity
79.04
TPSA
77.51
LogP / Solubility
WLOGP
3.33
MLOGP
2.95
XLogP3
3.5
Consensus LogP
3.26
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.98
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.29
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
Safety & Transport
Pictogram(s)
Corrosive
Signal
Danger
GHS Hazard Statements
H290 (33.3%): May be corrosive to metals [Warning Corrosive to Metals]
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H318 (11.1%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
Precautionary Statement Codes
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
