ChemicalBook--->CAS DataBase List--->496-41-3

496-41-3

496-41-3 Structure

496-41-3 Structure
IdentificationMore
[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 PropertiesBack 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
[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 DataBack Directory
[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
[Toxicity]

mouse,LD50,intravenous,320mg/kg (320mg/kg),U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02495,
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Diethyl ether-->Sulfuric acid-->Potassium carbonate-->Potassium hydroxide-->Benzene-->2-Butanone-->3-Hydroxybenzaldehyde-->DIETHYL BROMOMALONATE-->3-HYDROXYCOUMARIN
[Preparation Products]

2,3-Dihydro-1-benzofuran-2-carboxylic acid-->N-(2-Bromophenyl)benzofuran-2-carboxamide-->N-(Benzofuran-2-yl)-4-chlorobenzaMide
Hazard InformationBack 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.]
Spectrum DetailBack Directory
[Spectrum Detail]

Benzofuran-2-carboxylic acid(496-41-3)MS
Benzofuran-2-carboxylic acid(496-41-3)1HNMR
Benzofuran-2-carboxylic acid(496-41-3)13CNMR
Benzofuran-2-carboxylic acid(496-41-3)IR1
Benzofuran-2-carboxylic acid(496-41-3)IR2
Benzofuran-2-carboxylic acid(496-41-3)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzo[b]furan-2-carboxylic acid, 98%(496-41-3)
[Alfa Aesar]

Benzo[b]furan-2-carboxylic acid, 98+%(496-41-3)
[Sigma Aldrich]

496-41-3(sigmaaldrich)
[TCI AMERICA]

Benzofuran-2-carboxylic Acid,>99.0%(T)(496-41-3)
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