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Benzofuran-2-carboxylic acid - ≥99% , CAS No.496-41-3

CAS: 496-41-3 Cat. No.: B170589 Molecular Weight: 162.14 Beilstein Registry Number: 124204 EC Number: 207-818-9
COA
Benzofuran-2-carboxylic acid - ≥99% CAS No(496-41-3) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
AB01319519-02 | AI3-03711 | SY005603 | NSC6165 | NSC-6165 | Benzo[b]furan-2-carboxylic acid | O11693 | 2-BENZOFURANCARBOXYLIC ACID | Benzo(b)furan-2-carboxylic acid | BB 0244005 | 1-benzofurane-2-carboxylic acid | CDS1_000167 | BRN 0124204 | F3096-1740 |
Storage
Room temperature
Shipped In
Normal
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 ·  off list, applied to all prices below.
Size
Status
Price
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1g
B170589-1g
3

$9.90

$14.90
Save $5.00 (33.56%)
5g
B170589-5g
3

$11.90

$17.90
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10g
B170589-10g
5

$22.90

$34.90
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25g
B170589-25g
1

$42.90

$64.90
Save $22.00 (33.90%)
50g
B170589-50g
3

$77.90

$116.90
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100g
B170589-100g
1

$139.90

$209.90
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Documents & Articles Solution Calculators Reviews
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Why this grade

≥99% 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.

Overview

Benzofuran-2-carboxylic acid was used in the synthesis of the oxymethyl-modified coumarinic acid-based cyclic DADLE (H-Tyr-D-Ala-Gly-Phe-D-Leu-OH) prodrug

Specifications

Synonyms
AB01319519-02 | AI3-03711 | SY005603 | NSC6165 | NSC-6165 | Benzo[b]furan-2-carboxylic acid | O11693 | 2-BENZOFURANCARBOXYLIC ACID | Benzo(b)furan-2-carboxylic acid | BB 0244005 | 1-benzofurane-2-carboxylic acid | CDS1_000167 | BRN 0124204 | F3096-1740 |
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
Normal
Purity
≥99%
Names and Identifiers
Pubchem Sid488181117
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488181117
Canonical SmilesC1=CC=C2C(=C1)C=C(O2)C(=O)O
IUPAC Name1-benzofuran-2-carboxylic acid
InChIKeyOFFSPAZVIVZPHU-UHFFFAOYSA-N
INCHI1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
Isomeric SMILES C1=CC=C2C(=C1)C=C(O2)C(=O)O
WGK Germany 3
RTECS DF6490000
Molecular Weight 162.14
Beilstein 124204
Reaxy-Rn 124204
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124204&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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassBenzofurans
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentBenzofurans
Alternative Parents Furoic acids  Benzenoids  Heteroaromatic compounds  Oxacyclic compounds  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Benzofuran - Furoic acid or derivatives - Furoic acid - Benzenoid - Heteroaromatic compound - Furan - Oxacycle - Monocarboxylic acid or derivatives - 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 benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PIM1 Tchem Serine/threonine-protein kinase PIM1 (9629 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCL1 Tchem Induced myeloid leukemia cell differentiation protein Mcl-1 (3820 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
panC Pantothenate synthetase (234 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.

16 results found

Lot NumberCertificate TypeDateItem
C2317479Certificate of AnalysisJan 19, 2026 B170589
C2317471Certificate of AnalysisJan 19, 2026 B170589
L2201215Certificate of AnalysisSep 09, 2025 B170589
L2201216Certificate of AnalysisSep 09, 2025 B170589
L2201217Certificate of AnalysisSep 09, 2025 B170589
L2201218Certificate of AnalysisSep 09, 2025 B170589
L2201226Certificate of AnalysisSep 09, 2025 B170589
L2201227Certificate of AnalysisSep 09, 2025 B170589
H2506095Certificate of AnalysisAug 11, 2025 B170589
K2102230Certificate of AnalysisAug 19, 2024 B170589
K2102232Certificate of AnalysisAug 19, 2024 B170589
K2102233Certificate of AnalysisAug 19, 2024 B170589
K2102234Certificate of AnalysisAug 19, 2024 B170589
K2102270Certificate of AnalysisAug 19, 2024 B170589
G1926021Certificate of AnalysisJun 13, 2022 B170589
K2327173Certificate of AnalysisJul 21, 2021 B170589

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Chemical and Physical Properties
SolubilitySoluble in Methanol,Acetone,Ethanol; Slightly soluble in Chloroform
Boil Point(°C)310-315°
Melt Point(°C)195 °C
Molecular Weight162.140 g/mol
XLogP32.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass162.032 Da
Monoisotopic Mass162.032 Da
Topological Polar Surface Area50.400 Ų
Heavy Atom Count12
Formal Charge0
Complexity190.000
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
Documents & Articles
Benzofuran Heteroaromatic Building-Block Guide: From “Adding an Oxygen Atom” to More Controllable Scaffold Hops and Selection Navigation (Tables A–C)
Categories: Technical articles
Tags:
Benzofuran
Solution Calculators
Reviews

Customer Reviews

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