Benzofuran-2-carboxylic acid

Modify Date: 2026-07-01 18:56:10

Benzofuran-2-carboxylic acid Structure
Benzofuran-2-carboxylic acid structure
Common Name Benzofuran-2-carboxylic acid
CAS Number 496-41-3 Molecular Weight 162.14200
Density N/A Boiling Point 310-315°C
Molecular Formula C9H6O3 Melting Point 193-196 °C(lit.)
MSDS N/A Flash Point 310-315°C

 Names

Name Benzofuran-2-carboxylic acid
Synonym More Synonyms

 Chemical & Physical Properties

Boiling Point 310-315°C
Melting Point 193-196 °C(lit.)
Molecular Formula C9H6O3
Molecular Weight 162.14200
Flash Point 310-315°C
Exact Mass 162.03200
PSA 50.44000
LogP 2.13100
Vapour Pressure 0mmHg at 25°C
Index of Refraction 1.649
InChIKey OFFSPAZVIVZPHU-UHFFFAOYSA-N
SMILES O=C(O)c1cc2ccccc2o1
Water Solubility partially soluble

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF6490000
CHEMICAL NAME :
2-Benzofurancarboxylic acid
CAS REGISTRY NUMBER :
496-41-3
BEILSTEIN REFERENCE NO. :
0124204
LAST UPDATED :
199709
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H6-O3
MOLECULAR WEIGHT :
162.15
WISWESSER LINE NOTATION :
T56 BOJ CVQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
NCNSA6 National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. (Washington, DC) Volume(issue)/page/year: 5,7,1953
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#02495

 Safety Information

Hazard Codes Xi:Irritant;
Risk Phrases R36/37/38
Safety Phrases S26-S37/39
WGK Germany 3
RTECS DF6490000
HS Code 29329985

 Synthetic Route

 Customs

HS Code 29329985

 Benzofuran-2-carboxylic acidBioassay

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Name: qHTS screening for TAG (triacylglycerol) accumulators in algae
Source: 11812
Target: N/A
External Id: FATTTLab-Algae-Lipid
Name: Screen for inhibitors of RMI FANCM (MM2) intereaction
Source: 11908
Target: N/A
External Id: RMI-FANCM-MM2
Name: Experimentally measured binding affinity data (IC50) for protein-ligand complexes der...
Source: Shanghai Institute of Organic Chemistry
Target: N/A
External Id: PDBbind-IC50 for protein-ligand complexes
Name: Inhibition of human Pim1 using 5-FAM-RSRHSSYPAGT-CONH2 as substrate after 45 mins by ...
Source: ChEMBL
Target: Serine/threonine-protein kinase pim-1
External Id: CHEMBL1786237
Name: Binding affinity to Mycobacterium tuberculosis Pantothenate synthetase
Source: ChEMBL
Target: Pantothenate synthetase
External Id: CHEMBL2183383
Name: Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expre...
Source: ChEMBL
Target: Induced myeloid leukemia cell differentiation protein Mcl-1
External Id: CHEMBL2320307
Name: qHTS assay for inhibitors of human lactate dehydrogenase
Source: NCGC
Target: N/A
External Id: LDHA
Name: Dissociation constant for HCV NS3 protease substrate binding site
Source: ChEMBL
Target: Genome polyprotein
External Id: CHEMBL751815
Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

Coumarilic Acid
MFCD00005848
EINECS 207-818-9
Benzofuran-2-carboxylic Acid
Benzo[b]furan-2-carboxylic acid
Coumarone-2-carboxylic Acid
1-benzofuran-2-carboxylic acid
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