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Basic Information
CAS No.: 13479-29-3
Name: 3-HYDROXYXANTHINE
Molecular Structure:
Molecular Structure of 13479-29-3 (3-HYDROXYXANTHINE)
Formula: C5H4N4O3
Molecular Weight: 168.112
Synonyms: Xanthine,3-hydroxy;3-Hydroxy-xanthin;3-hydroxy-3,7(9)-dihydro-purine-2,6-dione;Xanthine-3-N-oxide;1H-Purine-2,6-dione,3,7-dihydro-3-hydroxy;3-hydroxy-3,7-dihydro-1h-purine-2,6-dionato;3,7-Dihydro-3-hydroxy-1H-purine-2,6-dione;Xanthine-x-N-oxide;3-Hydroxyxanthine;
Density: 1.98g/cm3
Boiling Point: 297.02°C (rough estimate)
Flash Point: 399.1oC
Safety: A poison by intraperitoneal route. Moderately toxic by subcutaneous route. Experimental teratogenic effects. Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also 7-HYDROXYXANTHINE; 3-HYDROXYXANTHINE ACETATE; 1-HYDROXYXANTHINE DIHYDRATE; 3-HYDROXYXANTHINE HYDRATE.
PSA: 103.77000
LogP: -1.34980
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Chemistry

Product Name: 3-Hydroxyxanthine (CAS NO.13479-29-3)


IUPAC: 3-Hydroxy-7H-purine-2,6-dione
Molecular Formula: C5H4N4O3
Molecular Weight: C5H4N4O3g/mol
Mol File: 13479-29-3.mol
Density: 1.98 g/cm3
Surface Tension: 138.6 dyne/cm
XLogP3-AA: -1.2
H-Bond Donor: 3
H-Bond Acceptor: 4

Toxicity Data With Reference

1.    

dnd-rat-ipr 50 mg/kg

     CBINA8    Chemico-Biological Interactions. 10 (1975),19.
2.    

ipr-rat TDLo:500 mg/kg (19-22D preg):CAR,TER

     JJIND8    JNCI, Journal of the National Cancer Institute. 61 (1978),1405.
3.    

scu-rat TDLo:500 mg/kg (19-22D preg):NEO,TER

     JJIND8    JNCI, Journal of the National Cancer Institute. 61 (1978),1411.
4.    

ipr-rat LD50:100 mg/kg

     ARPAAQ    Archives of Pathology. 86 (1968),395.
5.    

scu-rat LDLo:1540 mg/kg

     CNREA8    Cancer Research. 30 (1970),179.

Safety Profile

A poison by intraperitoneal route. Moderately toxic by subcutaneous route. Experimental teratogenic effects. Questionable carcinogen with experimental carcinogenic and neoplastigenic data. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also 7-HYDROXYXANTHINE; 3-HYDROXYXANTHINE ACETATE; 1-HYDROXYXANTHINE DIHYDRATE; 3-HYDROXYXANTHINE HYDRATE.

Specification

 3-Hydroxyxanthine , its CAS NO. is 13479-29-3, the synonyms are  CCRIS 343 ; NSC 145424 ; Xanthine-3-N-oxide ; Xanthine-3-n-oxide ; Xanthine-x-N-oxide ; 1H-Purine-2,6-dione, 3,7-dihydro-3-hydroxy- (9CI) ; 3,7-Dihydro-3-hydroxy-1H-purine-2,6-dione ;  3-Hydroxyxanthine ; Xanthine, 3-hydroxy- .