Xanthotoxol

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Names

[ CAS No. ]:
2009-24-7

[ Name ]:
Xanthotoxol

[Synonym ]:
9-hydroxyfuro[3,2-g]chromen-7-one
8-Hydroxypsoralen
T C566 DO LVOJ BQ
8-Hydroxy-4':5',6:7-furocoumarin
7H-Furo[3,2-g][1]benzopyran-7-one, 9-hydroxy-
9-Hydroxy-7H-furo[3,2-g]chromen-7-one
Xanthotoxol
EINECS 217-923-1

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
428.1±45.0 °C at 760 mmHg

[ Melting Point ]:
250ºC

[ Molecular Formula ]:
C11H6O4

[ Molecular Weight ]:
202.163

[ Flash Point ]:
212.7±28.7 °C

[ Exact Mass ]:
202.026611

[ PSA ]:
63.58000

[ LogP ]:
0.72

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

[ Index of Refraction ]:
1.711

[ Storage condition ]:
-20°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
LV1069000
CHEMICAL NAME :
7H-Furo(3,2-g)(1)benzopyran-7-one, 9-hydroxy-
CAS REGISTRY NUMBER :
2009-24-7
BEILSTEIN REFERENCE NO. :
0189491
LAST UPDATED :
199612
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C11-H6-O4
MOLECULAR WEIGHT :
202.17

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 :
480 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 36,239,1992
TYPE OF TEST :
LD - Lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 36,239,1992
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
468 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOETD7 Journal of Ethnopharmacology. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1979- Volume(issue)/page/year: 36,239,1992

Safety Information

[ Risk Phrases ]:
25

[ Safety Phrases ]:
20-45

[ RIDADR ]:
UN 2810

[ HS Code ]:
2932999099

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Xanthotoxin
  • Imperatorin
  • 9-acetyl-7H-furo[3,2-g]chromen-7-one
  • 8-Geranyloxypsoralen
  • 6',7'-Epoxy-8-geranyloxypsoralen
  • 7-Hydroxycoumarine
  • (2-oxochromen-7-yl) acetate
  • 8-acetyl-7-hydroxycoumarin
  • 8-Acetyl-7-(allyloxy)coumarin

DownStream

  • 4,9-dihydroxyfuro[3,2-g]chromen-7-one
  • Imperatorin
  • Xanthotoxin
  • 2,3-dihydro-9-hydroxyfuro[3,2-g]chromen-7-one
  • 7H-Furo[3,2-g][1]benzopyran-7-one,9-(acetyloxy)-
  • 9-butoxyfuro[3,2-g]chromen-7-one
  • 8-Hydroxybergapten
  • 5-Methyl-1-(3-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)propyl)-2,4(1H,3H)-pyrimidinedione
  • 5-Methyl-1-(5-((7-oxo-7H-furo(3,2-g)(1)benzopyran-9-yl)oxy)pentyl)-2,4 (1H,3H)-pyrimidinedione
  • 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-(4-((7-oxo-7H-furo(3,2-g)(1)ben zopyran-9-yl)oxy)butyl)-

Customs

[ HS Code ]: 2932999099

[ Summary ]:
2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • xanthotoxol
  • xanthotoxol
  • Xanthotoxol-acetat
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • (9H-fluoren-9-yl)methyl N-{[2,4,6-trimethyl-3-(piperazin-1-yl)-5-[2-(trimethylsilyl)ethynyl]phenyl]methyl}carbamate
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • Tert-butyl 2-(morpholin-2-yl)-1,3-thiazole-4-carboxylate
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • 2-Bromo-5-(2,3-difluorophenyl)pyrazine
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 2-[6-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)bicyclo[3.2.0]heptan-6-yl]acetic acid
  • Methyl (I(3)S)-I(3)-amino-4-(2-furanyl)benzenebutanoate