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CAS 26158-00-9 Benzenesulfonic Acid Monohydrate molecular structure lightbox
CAS RN: 26158-00-9

Benzenesulfonic Acid Monohydrate

Product Availability

Choose a grade to view its available package options.

4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250925 2.5kg In stock Shandong Inquiry
Batchno.20260513 250g In stock Shandong, Hebei Inquiry
Batchno.20251114 500g In stock Shanghai, Shandong, Guangdong Inquiry
Batchno.20250628 50g In stock Shanghai, Shandong Inquiry
  • Product code: SSC-123128
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 500g, 1000g
  • Available purity: ≥97%
  • Inventory rows with stock: 3
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 26158-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g ≥97% 5 In Stock Beijing Inquiry
100g ≥97% 5 In Stock Shanghai Inquiry
500g ≥97% 1 In Stock Shenzhen Inquiry
1000g ≥97% 0 Out of Stock Hong Kong Inquiry

26158-00-9 / benzenesulfonic acid;hydrate

Standard CAS: 26158-00-9 Multi CAS: No
Basic Information Physical Properties Computed Properties

Basic Information

CAS
26158-00-9
Multi CAS
No
Molecular Formula
C6H8O4S
Molecular Weight
176.190000
Exact Mass
176.014330
SMILES
C1=CC=C(C=C1)S(=O)(=O)O.O
InChI
InChI=1S/C6H6O3S.H2O/c7-10(8,9)6-4-2-1-3-5-6;/h1-5H,(H,7,8,9);1H2
InChIKey
MVIOINXPSFUJEN-UHFFFAOYSA-N

Physical Properties

Melting Point
Melting Point = 145 °C /2-Hydroxybenzenesulfonic acid/
Physical Description
Phenolsulfonic acid, liquid appears as a yellowish liquid that becomes brown on exposure to air. Soluble in alcohol. Irritating to mucous membranes, skin, and eyes. Moderately toxic by ingestion. Used as a laboratory reagent, in water analysis and in the manufacture of pharmaceuticals. A mixture of ortho and para isomers. Liquid Yellowish hygroscopic liquid; Turns brown on exposure to air; Mixture of ortho and para isomers; [CAMEO] Solid; [eChemPortal: HPVIS: EPA] Red liquid
State
Liquid

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
39.87
TPSA
85.87

LogP / Solubility

WLOGP
0.11
MLOGP
0.09
XLogP3
0.11
Consensus LogP
0.1
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.02
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.72

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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