3-HYDROXYXANTHINE

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Names

[ CAS No. ]:
13479-29-3

[ Name ]:
3-HYDROXYXANTHINE

[Synonym ]:
1H-Purine-2,6-dione,3,7-dihydro-3-hydroxy
3-hydroxy-3,7(9)-dihydro-purine-2,6-dione
Xanthine-3-N-oxide
Xanthine,3-hydroxy
3-Hydroxy-xanthin
Xanthine-x-N-oxide
3-Hydroxyxanthine
3-hydroxy-3,7-dihydro-1h-purine-2,6-dionato
3,7-Dihydro-3-hydroxy-1H-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.98g/cm3

[ Boiling Point ]:
736.3ºC at 760 mmHg

[ Molecular Formula ]:
C5H4N4O3

[ Molecular Weight ]:
168.11000

[ Flash Point ]:
399.1ºC

[ Exact Mass ]:
168.02800

[ PSA ]:
103.77000

[ Vapour Pressure ]:
9.17E-23mmHg at 25°C

[ Index of Refraction ]:
1.765

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZD8100000
CHEMICAL NAME :
Xanthine, 3-hydroxy-
CAS REGISTRY NUMBER :
13479-29-3
LAST UPDATED :
199109
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C5-H4-N4-O3
MOLECULAR WEIGHT :
168.13
WISWESSER LINE NOTATION :
T56 BM DN FNVMVJ FQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
100 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
770 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg female 19-22 day(s) after conception
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Reproductive - Tumorigenic effects - transplacental tumorigenesis Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
96 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - Carcinogenic by RTECS criteria Liver - tumors
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
9600 ug/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Liver - tumors Tumorigenic - tumors at site of application
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
500 mg/kg female 19-22 day(s) after conception
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Reproductive - Tumorigenic effects - transplacental tumorigenesis Skin and Appendages - tumors
TYPE OF TEST :
TD - Toxic dose (other than lowest)
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
96 mg/kg/8W-I
TOXIC EFFECTS :
Tumorigenic - neoplastic by RTECS criteria Liver - tumors Tumorigenic - tumors at site of application

MUTATION DATA

TEST SYSTEM :
Rodent - rat
DOSE/DURATION :
50 mg/kg
REFERENCE :
CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 10,19,1975

Safety Information

[ HS Code ]:
2933990090

Precursor & DownStream

Precursor

  • 3-acetoxyxanthine
  • 3-acetoxyxanthine hydrochloride

DownStream

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3-Hydroxyxanthine acetate
  • 3-[(4-chloro-3-methylphenoxy)methyl]-4,5-bis(4-methylphenyl)-1,2,4-triazole
  • 3-[(4-chloro-3-methyl-phenoxy)methyl]-5-(4-fluorophenyl)-4-(4-methylph enyl)-1,2,4-triazole
  • 3-[[2-(2-chloro-4-nitro-phenoxy)acetyl]amino]-4-methoxy-benzenesulfonyl fluoride
  • 3-isothiocyanatopropanoyl chloride
  • 3-(4-chlorophenyl)-5-[(4-methylphenoxy)methyl]-4-(4-methylphenyl)-1,2,4-triazole