| Identification | More | [Name]
Benzofuran-2-carboxylic acid | [CAS]
496-41-3 | [Synonyms]
1-BENZOFURAN-2-CARBOXYLIC ACID
2,3-BENZOFURAN-2-CARBOXYLIC ACID
2-BENZOFURANCARBOXYLIC ACID
4,5-BENZOFURAN-2-CARBOXYLIC ACID
AKOS 91692
AKOS AUF2077
AURORA 2460
BENZO[B]FURAN-2-CARBOXYLIC ACID
BENZOFURAN-2-CARBOXYLIC ACID
COUMARILIC ACID
COUMARONE-2-CARBOXYLIC ACID
OTAVA-BB BB0125160292
RARECHEM AL BE 0556
TIMTEC-BB SBB000137
2-Carboxybenzofuran
benzfuran-2-Carboxylic acid
2,3-Benzofuran-2-carboxylic acid, 98+%
Benzofuran-2-carboxylicacid=Coumarilicacid
Benzofuran-2-carboxylic acid 97%
Benzo[b]furan-2-carboxylic acid, HPLC 98% | [EINECS(EC#)]
207-818-9 | [Molecular Formula]
C9H6O3 | [MDL Number]
MFCD00005848 | [Molecular Weight]
162.14 | [MOL File]
496-41-3.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
193-196 °C (lit.) | [Boiling point ]
310-315°C | [density ]
1.2599 (rough estimate) | [refractive index ]
1.5380 (estimate) | [Fp ]
310-315°C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol,Ethanol,Acetone | [form ]
Crystals or Powder | [pka]
3.12±0.30(Predicted) | [color ]
White to yellow | [Water Solubility ]
partially soluble | [Detection Methods]
HPLC,NMR,MS | [Merck ]
14,2561 | [BRN ]
124204 | [InChI]
1S/C9H6O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11) | [InChIKey]
OFFSPAZVIVZPHU-UHFFFAOYSA-N | [SMILES]
OC(=O)c1cc2ccccc2o1 | [LogP]
2.410 | [CAS DataBase Reference]
496-41-3(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzofuran-2-carboxylic acid(496-41-3) | [EPA Substance Registry System]
496-41-3(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P264-P271-P280-P302+P352-P305+P351+P338 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [RTECS ]
DF6490000
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
IRRITANT | [HS Code ]
29321900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 | [Toxicity]
mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02495, |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powde | [Uses]
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. | [Synthesis Reference(s)]
Journal of the American Chemical Society, 73, p. 872, 1951 DOI: 10.1021/ja01146a532
Organic Syntheses, Coll. Vol. 3, p. 209, 1955 | [Purification Methods]
The acid crystallises from water. [Beilstein 18/6 V 419.] |
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