2H-1-Benzopyran-2-one, 3-benzoyl-

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Names

[ CAS No. ]:
1846-74-8

[ Name ]:
2H-1-Benzopyran-2-one, 3-benzoyl-

[Synonym ]:
3-benzoyl-2-oxo-2H-1-benzopyran
2H-1-Benzopyran-2-one,3-benzoyl
benzoyl-3 coumarine
COUMARIN,3-BENZOYL
3-benzoyl-chromen-2-one
3-Benzoyl-2H-1-benzopyran-2-one
3-benzoylcoumarine
3-benzoyl-2H-chromen-2-one
3-benzoyl-2H-2-chromenone
3-benzoyl-coumarin

Chemical & Physical Properties

[ Density]:
1.302g/cm3

[ Boiling Point ]:
447.7ºC at 760 mmHg

[ Molecular Formula ]:
C16H10O3

[ Molecular Weight ]:
250.24900

[ Flash Point ]:
202ºC

[ Exact Mass ]:
250.06300

[ PSA ]:
47.28000

[ LogP ]:
3.02400

[ Vapour Pressure ]:
3.29E-08mmHg at 25°C

[ Index of Refraction ]:
1.642

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN4934000
CHEMICAL NAME :
Coumarin, 3-benzoyl-
CAS REGISTRY NUMBER :
1846-74-8
BEILSTEIN REFERENCE NO. :
0190875
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H10-O3
MOLECULAR WEIGHT :
250.26
WISWESSER LINE NOTATION :
T66 BOVJ DVR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 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#04208

Safety Information

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Ethyl 3-oxo-3-phenylpropanoate
  • Salicylaldehyde
  • (2-propanoylphenyl) acetate
  • 3,3-bis(ethylthio)-1-phenylprop-2-en-1-one
  • 2-Methylbenzyl Alcohol
  • 2-Propen-1-one,3,3-bis(methylthio)-1-phenyl-
  • Coumarin
  • Benzoyl chloride
  • 3-benzylchromen-2-one
  • 5-phenylfuran-2,3-dione

DownStream

  • Salicylaldehyde
  • 2-oxochromene-3-carboxamide
  • 2H-1-Benzopyran-2-one,3-(4-nitrophenyl)-
  • 3-benzoyl-3,4-dihydrochromen-2-one
  • 2-Phenylbenzopyrylium perchlorate

Customs

[ HS Code ]: 2932209090

[ Summary ]:
2932209090. other lactones. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 2H-1-Benzopyran-2-one, 3-benzoyl-4-phenyl-
  • 3-benzoyl-5,7-dipropoxychromen-2-one
  • 3-benzoyl-5,7-dimethoxychromen-2-one
  • 7-hydroxy-3-[hydroxy(phenyl)methylidene]chromene-2,4-dione
  • 3-benzoyl-3,4-dihydrochromen-2-one
  • 3-benzoyl-4-methylchromen-2-one
  • (1S)-2-amino-1-(2,5-dimethylphenyl)ethan-1-ol
  • (1R)-2-amino-1-(2-methoxy-5-methylphenyl)ethan-1-ol
  • ethyl 2-((4-oxo-3,7-diphenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)thio)acetate
  • 2-((4-oxo-7-phenyl-3-(p-tolyl)-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)thio)acetonitrile
  • (2R,6S)-2,6-dimethyl-4-[(piperidin-4-yl)methyl]morpholine
  • (S)-2-Amino-2-(2,4-difluorophenyl)acetonitrile
  • 3-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol
  • 3-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol
  • N-(4-chlorobenzyl)-2-((3-methyl-4-oxo-7-phenyl-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-2-yl)thio)acetamide
  • (1S)-2-amino-1-(5-methylthiophen-2-yl)ethan-1-ol
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