2,2′-Dithiodibenzoic acid - ≥96% , CAS No.119-80-2

CAS: 119-80-2 Cat. No.: D111348 Molecular Weight: 306.36 Beilstein Registry Number: 2221810 EC Number: 204-352-8
AVAILABLE TO ORDER
GRADE & PURITY ≥96%
Synonyms
2,2'-Dithiodi(benzoic acid) | Benzoic acid, dithiobis- | dithiodibenzoic acid | J-004201 | Diphenyl disulfide-2,2'-dicarboxylic acid | Z62436286 | Diphenyldisulfide-2,2'-dicarboxylic acid | A804360 | DTXSID1059498 | NSC 5346 | 2,2 inverted exclamation mar
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
25g
D111348-25g
3
$9.90
100g
D111348-100g
3
$10.90
250g
D111348-250g
2

$21.90

$32.90
Save $11.00 (33.43%)
500g
D111348-500g
2

$39.90

$59.90
Save $20.00 (33.39%)
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Why this grade

≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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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.

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Literature proof

Cited in 20 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2,2′-Dithiodibenzoic acid is an sulfhydryl modifying reagent.2,2′-Dithiodibenzoic acid on cocrystallization with imidazole or 4-methylimidazole affords bis(imidazolium) 2,2′-dithiodibenzoate and 4-methylimidazolium 2-[(2-carboxyphenyl)disulfanyl]benzoate organic salt, respectively.It also cocrystallizes with isonicotinohydrazide from methanol solution to afford the 1:2 cocrystal, 2,2′-dithiodibenzoic acid-isonicotinohydrazide

Specifications

Synonyms
2, 2'-Dithiodi(benzoic acid) | Benzoic acid, dithiobis- | dithiodibenzoic acid | J-004201 | Diphenyl disulfide-2, 2'-dicarboxylic acid | Z62436286 | Diphenyldisulfide-2, 2'-dicarboxylic acid | A804360 | DTXSID1059498 | NSC 5346 | 2, 2 inverted exclamation mar
Specifications & Purity
≥96%
Storage
Room temperature
Shipped In
Normal
Purity
≥96%
Names and Identifiers
Pubchem Sid504751668
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751668
Canonical SmilesC1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
IUPAC Name2-[(2-carboxyphenyl)disulfanyl]benzoic acid
InChIKeyLBEMXJWGHIEXRA-UHFFFAOYSA-N
INCHI1S/C14H10O4S2/c15-13(16)9-5-1-3-7-11(9)19-20-12-8-4-2-6-10(12)14(17)18/h1-8H,(H,15,16)(H,17,18)
Isomeric SMILES C1=CC=C(C(=C1)C(=O)O)SSC2=CC=CC=C2C(=O)O
WGK Germany 3
RTECS DG9660000
Molecular Weight 306.36
Beilstein 2221810
Reaxy-Rn 2221810
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2221810&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.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Sulfanylbenzoic acids and derivatives - O-sulfanylbenzoic acids and derivatives
Direct ParentO-sulfanylbenzoic acids
Alternative Parents Benzoic acids  Benzoyl derivatives  Dicarboxylic acids and derivatives  Organic disulfides  Sulfenyl compounds  Carboxylic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents O-sulfanylbenzoic acid - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Organic disulfide - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as o-sulfanylbenzoic acids. These are benzoic acids which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 2, respectively.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLB Tchem DNA polymerase beta (23632 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
POLI Tchem DNA polymerase iota (116820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EYA2 Tbio Eyes absent homolog 2 (5884 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Human immunodeficiency virus 1 (70413 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ffp 4'-phosphopantetheinyl transferase ffp (24982 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.

18 results found

Lot NumberCertificate TypeDateItem
J2120231Certificate of AnalysisAug 11, 2025 D111348
J2120230Certificate of AnalysisAug 11, 2025 D111348
J2120229Certificate of AnalysisAug 11, 2025 D111348
J2120228Certificate of AnalysisAug 11, 2025 D111348
J2120223Certificate of AnalysisAug 11, 2025 D111348
G2430480Certificate of AnalysisMay 06, 2024 D111348
H2412411Certificate of AnalysisMay 06, 2024 D111348
H2412413Certificate of AnalysisMay 06, 2024 D111348
E2515275Certificate of AnalysisMay 06, 2024 D111348
E2515276Certificate of AnalysisMay 06, 2024 D111348
I1903205Certificate of AnalysisJun 09, 2023 D111348
I2404034Certificate of AnalysisAug 01, 2022 D111348
D2610125Certificate of AnalysisAug 01, 2022 D111348
J2225352Certificate of AnalysisAug 01, 2022 D111348
J2225355Certificate of AnalysisAug 01, 2022 D111348
J2225368Certificate of AnalysisAug 01, 2022 D111348
J2225369Certificate of AnalysisAug 01, 2022 D111348
J2225382Certificate of AnalysisAug 01, 2022 D111348

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Chemical and Physical Properties
Melt Point(°C)287-290°C
Molecular Weight306.400 g/mol
XLogP33.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass306.002 Da
Monoisotopic Mass306.002 Da
Topological Polar Surface Area125.000 Ų
Heavy Atom Count20
Formal Charge0
Complexity327.000
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
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2. Xiao Gong, Qingqing Xu, Jiurong Li, Yan Ma, Xiaoyan Li, Wanze Wu, Hangxiang Wang.  (2023)  Hydrophobic Mn-Doped Solid-State Red-Emitting Carbon Nanodots with AIE Effect and Their Hydrogel Composites for Color-Changing Anticounterfeiting.  Small,      [PMID:37731094] [10.1002/smll.202304673]
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