Benzofuran-2-carboxylic acid

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Names

[ CAS No. ]:
496-41-3

[ Name ]:
Benzofuran-2-carboxylic acid

[Synonym ]:
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

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

[ Water Solubility ]:
partially soluble

MSDS

Click to get detail MSDS

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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Coumarone
  • Carbon dioxide
  • 2-Bromo-1-benzofuran
  • Formyl acetate
  • 2-Hydroxycinnamic acid
  • Benzofuran-2-ylmethanol
  • 2-hydroxy-3-(2-methoxyphenyl)acrylic acid
  • 2-Acetylbenzofuran
  • 2-(2-Formylphenoxy)acetic acid

DownStream

  • Benzofuran, 2-nitro-
  • 2-BENZOFURANCARBOXYLIC ACID, 6-NITRO-
  • 5-NITROBENZOFURAN-2-CARBOXYLIC ACID
  • 1-benzofuran-2-yl-(4-benzylpiperazin-1-yl)methanone
  • 2-Methylbenzofuran
  • BENZOFURAN-2-CARBONITRILE
  • Benzo[b]furan-2-carboxaldehyde
  • benzofuran-2-carbonyl chloride
  • 2,3,5,6-Tetrabromo-1,4-benzoquinone
  • 2-(4-FLUOROBENZOYL)BENZOFURAN

Customs

[ HS Code ]: 29329985

Related Compounds

  • 5-Iodobenzofuran-2-carboxylic acid
  • 5-Bromobenzofuran-2-carboxylic acid
  • 3-Bromobenzofuran-2-carboxylic acid
  • 5-NITROBENZOFURAN-2-CARBOXYLIC ACID
  • 6-Nitrobenzofuran-2-carboxylic acid
  • 6-BROMOBENZOFURAN-2-CARBOXYLIC ACID