1H-benzimidazole-2-sulfonicacid - ≥98% , CAS No.40828-54-4

CAS: 40828-54-4 Cat. No.: H137598 Molecular Weight: 198.2 EC Number: 626-779-2
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
1H-Benzimidazole-2-sulfonic acid, 98% | 1H-Benzoimidazole-2-sulfonic acid | CCG-102426 | TS-00324 | FT-0607871 | MLS000779177 | 1H-1,3-benzodiazole-2-sulfonic acid | DTXSID10364463 | 1H-benzo[d]imidazole-2-sulfonicacid | Cambridge id 5140822 | AB00658806-
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
H137598-1g
3

$53.90

$68.90
Save $15.00 (21.77%)
5g
H137598-5g
3
$265.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1H-Benzimidazole-2-sulfonic acid, 98% | 1H-Benzoimidazole-2-sulfonic acid | CCG-102426 | TS-00324 | FT-0607871 | MLS000779177 | 1H-1, 3-benzodiazole-2-sulfonic acid | DTXSID10364463 | 1H-benzo[d]imidazole-2-sulfonicacid | Cambridge id 5140822 | AB00658806-
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504760609
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504760609
Canonical SmilesC1=CC=C2C(=C1)NC(=N2)S(=O)(=O)O
IUPAC Name1H-benzimidazole-2-sulfonic acid
InChIKeyGWXQTTKUYBEZBP-UHFFFAOYSA-N
INCHI1S/C7H6N2O3S/c10-13(11,12)7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,9)(H,10,11,12)
Isomeric SMILES C1=CC=C2C(=C1)NC(=N2)S(=O)(=O)O
WGK Germany 3
Molecular Weight 198.2
Reaxy-Rn 177682
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=177682&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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzimidazoles
SubclassSulfinylbenzimidazoles
Intermediate Tree Nodes Not available
Direct ParentSulfinylbenzimidazoles
Alternative Parents Arylsulfonic acids and derivatives  Benzenoids  Sulfonyls  Organosulfonic acids  Imidazoles  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Sulfinylbenzimidazole - Arylsulfonic acid or derivatives - Benzenoid - Azole - Imidazole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as sulfinylbenzimidazoles. These are polycyclic aromatic compounds containing a sulfinyl group attached at the position 2 of a benzimidazole moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
FTL Ferritin light chain (43324 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.

1 results found

Lot NumberCertificate TypeDateItem
L1522133Certificate of AnalysisMay 06, 2023 H137598
Chemical and Physical Properties
Molecular Weight198.200 g/mol
XLogP30.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass198.01 Da
Monoisotopic Mass198.01 Da
Topological Polar Surface Area91.400 Ų
Heavy Atom Count13
Formal Charge0
Complexity285.000
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
Solution Calculators
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