7-Methoxycoumarin

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Names

[ CAS No. ]:
531-59-9

[ Name ]:
7-Methoxycoumarin

[Synonym ]:
Coumarin, 7-methoxy-
Herniarin
7-Methoxycoumarin
Coumarin, 7-methoxy- (8CI)
Methyl umbelliferyl ether
EINECS 208-513-3
7-methoxychromen-2-one
7-Methoxy-2H-chromen-2-one
2H-1-Benzopyran-2-one, 7-methoxy-
Herniarin (6CI)
MFCD00006876

Chemical & Physical Properties

[ Density]:
1.2±0.1 g/cm3

[ Boiling Point ]:
335.3±37.0 °C at 760 mmHg

[ Melting Point ]:
117-121 °C(lit.)

[ Molecular Formula ]:
C10H8O3

[ Molecular Weight ]:
176.169

[ Flash Point ]:
138.6±21.1 °C

[ Exact Mass ]:
176.047348

[ PSA ]:
39.44000

[ LogP ]:
1.78

[ Vapour Pressure ]:
0.0±0.7 mmHg at 25°C

[ Index of Refraction ]:
1.572

[ Water Solubility ]:
MISCIBLE

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ3100380
CHEMICAL NAME :
2H-1-Benzopyran-2-one, 7-methoxy-
CAS REGISTRY NUMBER :
531-59-9
BEILSTEIN REFERENCE NO. :
0141728
LAST UPDATED :
199701
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H8-O3

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
4300 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,375,1988
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
>5 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FCTOD7 Food and Chemical Toxicology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.20- 1982- Volume(issue)/page/year: 26,375,1988

Safety Information

[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
36/37/38

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
DJ3100380

[ HS Code ]:
2932209090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 7-Hydroxycoumarine
  • Dimethyl sulfate
  • methyl iodide
  • m-Methoxyphenol
  • Ethyl propiolate
  • 2-Hydroxy-4-methoxybenzaldehyde
  • 3-oxo-3-phenylsulfanylpropanoic acid
  • butyl acrylate

DownStream

  • 2-Oxo-2H-chromen-7-yl Trifluoromethanesulfonate
  • 6-METHOXYBENZOFURAN-2-CARBOXYLIC ACID
  • 7-methoxy-3,4-dihydrochromen-2-one
  • 7-Hydroxycoumarine
  • 7-Methoxy-4-methylcoumarin
  • Ethyl (E)-3-(2-Hydroxy-4-methoxyphenyl)acrylate
  • 2-(2-aminopropan-2-yl)furo[3,2-g]chromen-7-one
  • 2H-1-Benzopyran,7-methoxy-2,2-dimethyl-
  • 2-Isopropenyl-7H-furo[3,2-g][1]benzopyran-7-one
  • 7-Methoxy-3-phenyl-2H-chromen-2-one

Customs

[ HS Code ]: 2932209090

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

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Related Compounds

  • 7-Methoxycoumarin
  • 6-Iodo-7-methoxycoumarin
  • 8-Iodo-7-methoxycoumarin
  • 3-amino-7-methoxycoumarin
  • 6-bromo-7-methoxycoumarin
  • 8-allyl-7-methoxycoumarin
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