3-HYDROXYXANTHINE

Modify Date: 2025-08-26 21:25:27

3-HYDROXYXANTHINE Structure
3-HYDROXYXANTHINE structure
 Common Name 3-HYDROXYXANTHINE
CAS Number 13479-29-3 Molecular Weight 168.11000
Density 1.98g/cm3 Boiling Point 736.3ºC at 760 mmHg
Molecular Formula C5H4N4O3 Melting Point N/A
MSDS N/A Flash Point 399.1ºC

 Names

Name 3-hydroxy-7H-purine-2,6-dione
Synonym More Synonyms

 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
InChIKey WYOFOAXXUITNKN-UHFFFAOYSA-N
SMILES O=c1[nH]c(=O)n(O)c2nc[nH]c12

 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  2

DownStream  0

 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%

 Synonyms

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
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Chemsrc provides 3-HYDROXYXANTHINE(CAS#:13479-29-3) MSDS, density, melting point, boiling point, structure, formula, molecular weight etc. Articles of 3-HYDROXYXANTHINE are included as well.>> amp version: 3-HYDROXYXANTHINE

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