Xanthene-9-carboxylic acid - ≥98% , CAS No.82-07-5

CAS: 82-07-5 Cat. No.: X113959 Molecular Weight: 226.23 Beilstein Registry Number: 174414 EC Number: 201-394-9 PubChem CID: 65736
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
SCHEMBL40617 | Xanthanoic acid | Xanthene-9-carboxylic acid, 98% | Xanthene-?9-?carboxylic acid | Maybridge1_006340 | W-104189 | 9-xanthenylcarboxylic acid | XANTHINE-9-CARBOXYLIC ACID | EN300-19838 | FT-0621692 | UNII-63A81F6A8V | 9-Xanthenecarboxylic ac
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
X113959-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$9.90

$14.90
Save $5.00 (33.56%)
5g
X113959-5g
9

$11.90

$17.90
Save $6.00 (33.52%)
25g
X113959-25g
7

$43.90

$65.90
Save $22.00 (33.38%)
100g
X113959-100g
5

$140.90

$211.90
Save $71.00 (33.51%)
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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.

📋

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
SCHEMBL40617 | Xanthanoic acid | Xanthene-9-carboxylic acid, 98% | Xanthene-?9-?carboxylic acid | Maybridge1_006340 | W-104189 | 9-xanthenylcarboxylic acid | XANTHINE-9-CARBOXYLIC ACID | EN300-19838 | FT-0621692 | UNII-63A81F6A8V | 9-Xanthenecarboxylic ac
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488183697
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488183697
Canonical SmilesC1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O
IUPAC Name9H-xanthene-9-carboxylic acid
InChIKeyVSBFNCXKYIEYIS-UHFFFAOYSA-N
INCHI1S/C14H10O3/c15-14(16)13-9-5-1-3-7-11(9)17-12-8-4-2-6-10(12)13/h1-8,13H,(H,15,16)
Isomeric SMILES C1=CC=C2C(=C1)C(C3=CC=CC=C3O2)C(=O)O
WGK Germany 3
PubChem CID 65736
Molecular Weight 226.23
Beilstein 174414
Reaxy-Rn 174414

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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzopyrans
Subclass1-benzopyrans
Intermediate Tree Nodes Dibenzopyrans
Direct ParentXanthenes
Alternative Parents Diarylethers  Benzenoids  Oxacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Xanthene - Diaryl ether - Benzenoid - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
A-431 (6446 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.

10 results found

Lot NumberCertificate TypeDateItem
I1207055Certificate of AnalysisJun 19, 2024 X113959
A2415618Certificate of AnalysisNov 24, 2023 X113959
A2415623Certificate of AnalysisNov 24, 2023 X113959
A2415624Certificate of AnalysisNov 24, 2023 X113959
E1915046Certificate of AnalysisMar 08, 2023 X113959
E2309060Certificate of AnalysisSep 24, 2022 X113959
E2309078Certificate of AnalysisSep 24, 2022 X113959
L2201249Certificate of AnalysisSep 24, 2022 X113959
L2201250Certificate of AnalysisSep 24, 2022 X113959
L2201422Certificate of AnalysisSep 24, 2022 X113959
Chemical and Physical Properties
Melt Point(°C)221-225°C
Molecular Weight226.230 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass226.063 Da
Monoisotopic Mass226.063 Da
Topological Polar Surface Area46.500 Ų
Heavy Atom Count17
Formal Charge0
Complexity280.000
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
Reviews

Customer Reviews

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