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CAS 10580-19-5 Sodium 4-Hydroxybenzenesulfonate Dihydrate molecular structure lightbox
CAS RN: 10580-19-5

Sodium 4-Hydroxybenzenesulfonate Dihydrate

  • Product code: SSC-007502
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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: 500g
  • Available purity: ≥95%
  • 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 10580-19-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ≥95% 0 Out of Stock Hong Kong Inquiry

10580-19-5 / sodium;4-hydroxybenzenesulfonate;dihydrate

Sodium 4-hydroxybenzenesulfonate dihydrate | 4-Hydroxybenzenesulfonic acid sodium salt dihydrate | PHENOLSULPHONATE SODIUM

Standard CAS: 10580-19-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10580-19-5
Multi CAS
Yes
Molecular Formula
C6H9NaO6S
Molecular Weight
232.190000
Exact Mass
232.001753
SMILES
C1=CC(=CC=C1O)S(=O)(=O)[O-].O.O.[Na+]
InChI
InChI=1S/C6H6O4S.Na.2H2O/c7-5-1-3-6(4-2-5)11(8,9)10;;;/h1-4,7H,(H,8,9,10);;2*1H2/q;+1;;/p-1
InChIKey
SXONATFNYJWFNK-UHFFFAOYSA-M
Synonyms
Sodium 4-hydroxybenzenesulfonate dihydrate 4-Hydroxybenzenesulfonic acid sodium salt dihydrate PHENOLSULPHONATE SODIUM sodium p-phenolsulfonate dihydrate SULPHOCARBOLATE SODIUM

Physical Properties

Physical Description
Beige powder
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
43.3
TPSA
140.43

LogP / Solubility

WLOGP
-4.35
MLOGP
-3.82
XLogP3
-4.35
Consensus LogP
-4.17
Log S (ESOL)
1.21
Class (ESOL)
Highly soluble
Log S (Ali)
1.68
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
2.32
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
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)
-7.22

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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