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CAS 98-66-8 4-Chlorobenzenesulfonic Acid molecular structure lightbox
CAS RN: 98-66-8

4-Chlorobenzenesulfonic Acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250618 100g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20250601 2.5kg In stock Shanghai Inquiry
Batchno.20251228 25g In stock Shanghai, Shandong Inquiry
Batchno.20260609 500g In stock Shanghai, Guangdong, Chongqing Inquiry
Batchno.20260623 5g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: SSC-212456
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 98-66-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shanghai Inquiry

98-66-8 / 4-chlorobenzenesulfonic acid

Standard CAS: 98-66-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
98-66-8
Multi CAS
Yes
Molecular Formula
C6H5CLO3S
Molecular Weight
192.620000
Exact Mass
191.964793
InChI
InChI=1S/C6H5ClO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChIKey
RJWBTWIBUIGANW-UHFFFAOYSA-N

Physical Properties

Physical Description
Pellets or Large Crystals
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
41.27
TPSA
54.37

LogP / Solubility

WLOGP
1.59
MLOGP
1.4
XLogP3
0.6
Consensus LogP
1.2
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.29
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.35
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.77

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

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