Daphnetin

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Names

[ CAS No. ]:
486-35-1

[ Name ]:
Daphnetin

[Synonym ]:
Daphnetin
7,8-Dihydroxychromen-2-one
7,8-Dihydroxycoumarin
7,8-dihydroxy-coumarin
2H-1-Benzopyran-2-one, 7,8-dihydroxy-
EINECS 207-632-8
7,8-Dihydroxy-2H-chromen-2-one
7,8-Dihydroxy-2H-1-benzopyran-2-one
MFCD00016977
TCMDC-125839

Chemical & Physical Properties

[ Density]:
1.6±0.1 g/cm3

[ Boiling Point ]:
430.4±45.0 °C at 760 mmHg

[ Melting Point ]:
265-268°C (dec.)

[ Molecular Formula ]:
C9H6O4

[ Molecular Weight ]:
178.14

[ Flash Point ]:
184.5±22.2 °C

[ Exact Mass ]:
178.026611

[ PSA ]:
70.67000

[ LogP ]:
0.77

[ Vapour Pressure ]:
0.0±1.1 mmHg at 25°C

[ Index of Refraction ]:
1.689

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GN6382600
CHEMICAL NAME :
Coumarin, 7,8-dihydroxy-
CAS REGISTRY NUMBER :
486-35-1
BEILSTEIN REFERENCE NO. :
0009372
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C9-H6-O4
MOLECULAR WEIGHT :
178.15

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
5370 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 22,87,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
429 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 22,87,1987
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
375 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
YHTPAD Yaoxue Tongbao. Bulletin of Pharmacology. (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep. China) V.13-23, 1978-88. For publisher information, see ZYZAEU. Volume(issue)/page/year: 22,87,1987

Safety Information

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

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R25

[ Safety Phrases ]:
S22-S24/25

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
GN6382600

[ HS Code ]:
2942000000

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • (±)-Malic Acid
  • Pyrogallol
  • 7,8-dibenzyloxycoumarin
  • Propiolic acidd
  • Daphnetin dimethyl ether
  • Daphnetin 7-methyl ether
  • 7-methoxy-8-(3-methylbut-2-enoxy)chromen-2-one
  • Ethanoic anhydride
  • Maleic acid
  • 7-Hydroxy-2-oxo-2H-chromene-8-carbaldehyde

DownStream

  • Daphnetin 7-methyl ether
  • Daphnetin dimethyl ether
  • 2H-1-Benzopyran-2-one,7,8-bis(acetyloxy)-
  • 7-methoxy-8-(3-methylbut-2-enoxy)chromen-2-one
  • Luvangetin
  • Hydrangetin

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

  • DAPHNETIN
  • Daphnetindiacetat
  • 7-methoxydaphnetin
  • 7-methoxydaphnetin
  • daphnetin methylether
  • Daphnetin-8-glucoside
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  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
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