4-Hydroxybenzenesulfonic acid - 66% in water , CAS No.98-67-9

CAS: 98-67-9 Cat. No.: H111204 Molecular Weight: 174.17 Beilstein Registry Number: 1869034 EC Number: 202-691-6
AVAILABLE TO ORDER
GRADE & PURITY 66% in water
Synonyms
4-Phenolsulfonic acid | p-Phenolsulfonic acid | Sulfocarbolic acid | Phenol-4-sulfonic acid
Storage
Room temperature
Shipped In
FedEx DG Service
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Size
Status
Price
Qty
100g
H111204-100g
≥10
$18.90
500g
H111204-500g
1
$65.90
Enter a quantity for the sizes you want to add.
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Why this grade

66% in water for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 8 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
4-Phenolsulfonic acid | p-Phenolsulfonic acid | Sulfocarbolic acid | Phenol-4-sulfonic acid
Specifications & Purity
66% in water
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
Pubchem Sid504750808
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504750808
Canonical SmilesC1=CC(=CC=C1O)S(=O)(=O)O
IUPAC Name4-hydroxybenzenesulfonic acid
InChIKeyFEPBITJSIHRMRT-UHFFFAOYSA-N
INCHI1S/C6H6O4S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4,7H,(H,8,9,10)
Isomeric SMILES C1=CC(=CC=C1O)S(=O)(=O)O
WGK Germany 3
UN Number 2586
Packing Group III
Molecular Weight 174.17
Beilstein 1869034
Reaxy-Rn 1869034
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1869034&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzenesulfonic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzenesulfonic acids and derivatives
Alternative Parents Benzenesulfonyl compounds  1-sulfo,2-unsubstituted aromatic compounds  1-hydroxy-2-unsubstituted benzenoids  Sulfonyls  Organosulfonic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzenesulfonate - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzenesulfonic acids and derivatives. These are organic compounds containing a sulfonic acid or a derivative thereof that is linked to a benzene ring.
External Descriptors arenesulfonic acid
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot NumberCertificate TypeDateItem
H2505054Certificate of AnalysisAug 12, 2025 H111204
G2419489Certificate of AnalysisJul 12, 2024 H111204
G2419490Certificate of AnalysisJul 12, 2024 H111204
G2419491Certificate of AnalysisJul 12, 2024 H111204
F2429242Certificate of AnalysisJun 21, 2024 H111204
F2429243Certificate of AnalysisJun 21, 2024 H111204
I1612045Certificate of AnalysisMay 09, 2024 H111204
A1606035Certificate of AnalysisAug 08, 2023 H111204
H1518065Certificate of AnalysisJun 05, 2023 H111204
D2117091Certificate of AnalysisApr 25, 2021 H111204
D2415433Certificate of AnalysisApr 25, 2021 H111204

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Chemical and Physical Properties
SensitivityMoisture sensitive
Refractive Index1.489
Melt Point(°C)142 °C
Molecular Weight174.180 g/mol
XLogP30.200
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass173.999 Da
Monoisotopic Mass173.999 Da
Topological Polar Surface Area83.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity207.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Xi Zhao, Lin Chen, Peng-Gang Su, Lin-Xi Xiao, Hai-Bo Zhao, Teng Fu, Xiu-Li Wang, Yu-Zhong Wang.  (2023)  4-Hydroxybenzenesulfonic acid triggers rapid preparation of phenolic aerogel composites by ambient pressure drying.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2023.147856]
2. Zhe Wang, Xiaozi Lin, Yuanxing Huang, Luming Ma.  (2022)  The role of hydroxylation on·OH generation for enhanced ozonation of benzoic acids: Reactivity, ozonation efficiency and radical formation mechanism.  JOURNAL OF HAZARDOUS MATERIALS,      [PMID:35278955] [10.1016/j.jhazmat.2022.128620]
3. Hongjian Wang, Long Chen, Hao Yang, Meidi Wang, Leixin Yang, Haiyan Du, Chenliang Cao, Yanxiong Ren, Yingzhen Wu, Fusheng Pan, Zhongyi Jiang.  (2019)  Brønsted acid mediated covalent organic framework membranes for efficient molecular separation.  Journal of Materials Chemistry A,  (35): (20317-20324).  [PMID:] [10.1039/C9TA06924K]
4. Xi Wang, Jingjing Mu, Hairong Yu, Xingbin Lv, Ting Liang, Changjing Cheng.  (2024)  Calix[6]arene-Functionalized Photonic Hydrogel Biosensor for Naked-Eye Cholesterol Detection Based on Supramolecular Host–Guest Interactions.  ACS Sensors,      [PMID:39374501] [10.1021/acssensors.4c01068]
5. Xueqiang Shao, Changyu Fu, Yujing Zhang, Jinyi Chen, Jinbei Yang, Zhongliang Yao.  (2025)  Novel Self-Solidifying Polymeric Ionic Liquid via Phenolic Condensation as Efficient and Reusable Catalyst for Biodiesel Production.  Asia-Pacific Journal of Chemical Engineering,      [PMID:] [10.1002/apj.70007]
6. Guangpeng Ma, Wenyu Bai, Xinpu Zhou, Di Yu, Yu Luo, Tongtong Gao, Shuang Wang.  (2024)  Novel sulfonated polyaniline/graphene oxide electrode with high cycling stability for all-solid-state flexible supercapacitors.  INTERNATIONAL JOURNAL OF HYDROGEN ENERGY,      [PMID:] [10.1016/j.ijhydene.2024.03.326]
7. Yuntong Li, Long Li, Caiying Bo, Lihong Hu, Xiaohui Yang, Yonghong Zhou.  (2025)  An intrinsic lignin-based flame retardant for phenolic foams: Synthesis and fire safety enhancement.  REACTIVE & FUNCTIONAL POLYMERS,      [PMID:] [10.1016/j.reactfunctpolym.2025.106376]
8. Xiaodong Zhang, Bohui Xu, Deshuai Xiao, Xinyuan Zhang, Pifu Gong, Zheshuai Lin.  (2025)  From centrosymmetric CN3H6C6H5SO3 to non-centrosymmetric CN3H6C6H4SO3(OH): Hydroxyl introduced hydrogen bond reconstruction to realize strong second harmonic generation.  CHINESE JOURNAL OF STRUCTURAL CHEMISTRY,  44  (10): (100707).  [PMID:] [10.1016/j.cjsc.2025.100707]
Solution Calculators
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