3-Dibenzofurancarboxylic Acid - ≥95% , CAS No.29021-91-8

CAS: 29021-91-8 Cat. No.: D729800 Molecular Weight: 212.2 EC Number: 828-682-2 PubChem CID: 20351027
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
Dibenzo[b,d]furan-3-carboxylic acid | DTXSID701307575 | 8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene-5-carboxylic acid
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
50mg
D729800-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$55.90
250mg
D729800-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$185.90
1g
D729800-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$469.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Dibenzo[b, d]furan-3-carboxylic acid | DTXSID701307575 | 8-oxatricyclo[7.4.0.0, 2, 7]trideca-1(9), 2(7), 3, 5, 10, 12-hexaene-5-carboxylic acid
Specifications & Purity
≥95%
Storage
Room temperature
Purity
≥95%
Product Properties
ALogP3.6
Names and Identifiers
Canonical SmilesC1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C(=O)O
IUPAC Namedibenzofuran-3-carboxylic acid
InChIKeyIPAZMLAVBPDMLK-UHFFFAOYSA-N
INCHI1S/C13H8O3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H,(H,14,15)
Isomeric SMILES C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)C(=O)O
PubChem CID 20351027
Molecular Weight 212.2

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
SuperclassOrganoheterocyclic compounds
ClassBenzofurans
SubclassDibenzofurans
Intermediate Tree Nodes Not available
Direct ParentDibenzofurans
Alternative Parents Benzenoids  Heteroaromatic compounds  Furans  Oxacyclic compounds  Carboxylic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Dibenzofuran - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dibenzofurans. These are compounds containing a dibenzofuran moiety, which consists of two benzene rings fused to a central furan ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight212.200 g/mol
XLogP33.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass212.047 Da
Monoisotopic Mass212.047 Da
Topological Polar Surface Area50.400 Ų
Heavy Atom Count16
Formal Charge0
Complexity289.000
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

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