psi-Tectorigenin

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Names

[ CAS No. ]:
13111-57-4

[ Name ]:
psi-Tectorigenin

[Synonym ]:
4H-1-Benzopyran-4-one,5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy
5,7-Dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-4H-1-benzopyran-4-one
Pseudotectorigenin
Isoflavone,4',5,7-trihydroxy-8-methoxy-(7CI,8CI)
5,7-Dihydroxy-3-(4-hydroxy-phenyl)-8-methoxy-chromen-4-on
tectorigenin
5,7,4'-Trihydroxy-8-methoxyisoflavone
5,7-dihydroxy-3-(4-hydroxy-phenyl)-8-methoxy-chromen-4-one
Isotectorigenin

Chemical & Physical Properties

[ Density]:
1.512 g/cm3

[ Boiling Point ]:
578.1ºC at 760 mmHg

[ Molecular Formula ]:
C16H12O6

[ Molecular Weight ]:
300.26300

[ Flash Point ]:
220.9ºC

[ Exact Mass ]:
300.06300

[ PSA ]:
100.13000

[ LogP ]:
2.58540

[ Vapour Pressure ]:
5.78E-14mmHg at 25°C

[ Index of Refraction ]:
1.697

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DJ3000000
CHEMICAL NAME :
4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-methoxy-
CAS REGISTRY NUMBER :
13111-57-4
BEILSTEIN REFERENCE NO. :
0305254
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C16-H12-O6
MOLECULAR WEIGHT :
300.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>250 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JANTAJ Journal of Antibiotics. (Japan Antibiotics Research Assoc., 2-20-8 Kamiosaki, Shinagawa-ku, Tokyo, 141, Japan) V.2-5, 1948-52; V.21- 1968- Volume(issue)/page/year: 28,947,1975

Safety Information

[ HS Code ]:
2914509090

Synthetic Route

Precursor & DownStream

Precursor

  • 4-Hydroxyphenylacetonitrile
  • Iretol
  • 2-(4-hydroxyphenyl)-1-(2,4,6-trihydroxy-3-methoxyphenyl)ethanone
  • N,N-Dimethylformamide
  • 2,5-dimethoxybenzene-1,3-diol
  • 5,7-dihydroxy-3-(4-hydroxy-phenyl)-8-methoxy-4-oxo-4H-chromene-2-carboxylic acid ethyl ester
  • Ethoxalyl chloride

DownStream

Customs

[ HS Code ]: 2914509090

[ Summary ]:
HS:2914509090 other ketones with other oxygen function VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%


Related Compounds

  • PSI-7409 tetrasodium
  • PSI-7976
  • PSI-7409
  • Psi-Baptigenin
  • PSI-352938
  • PSI-697