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| Name |
7-Hydroxyxanthine |
EINECS | N/A |
| CAS No. | 16870-90-9 | Density | g/cm3 |
| PSA | 108.37000 | LogP | -0.99750 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C5H4 N4 O3 | Boiling Point | °Cat760mmHg |
| Molecular Weight | 168.13 | Flash Point | °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. Questionable carcinogen with experimental carcinogenic and neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx. See also 3-HYDROXYXANTHINE; 3-HYDROXYXANTHINE ACETATE; 1-HYDROXYXANTHINE DIHYDRATE; 3-HYDROXYXANTHINE HYDRATE. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Xanthine,7-hydroxy- (8CI); 7-Hydroxyxanthine |
7-Hydroxyxanthine Chemical Properties
Molecular Structure of 7-Hydroxyxanthine (CAS NO.16870-90-9):
IUPAC: 7-Hydroxy-3,7-dihydro-1H-purine-2,6-dione
Molecular Formula: C5H4N4O3
Molecular Weight: 168.1103
Density: 2.31 g/cm3
Index of Refraction: 1.991
Surface Tension: 135.4 dyne/cm
H bond acceptors: 7
Molar Volume: 72.7 cm3
SMILES: O=C2Nc1ncn(O)c1C(=O)N2
InChI: InChI=1/C5H4N4O3/c10-4-2-3(6-1-9(2)12)7-5(11)8-4/h1,12H,(H2,7,8,10,11)
InChIKey: RHZHJSCNWUGABX-UHFFFAOYAJ
7-Hydroxyxanthine Toxicity Data With Reference
| 1. | ipr-rat LD50:200 mg/kg | ADTEAS Advances in Teratology. 3 (1968),181. |
7-Hydroxyxanthine Safety Profile
Poison by intraperitoneal route. Questionable carcinogen with experimental carcinogenic and neoplastigenic data. When heated to decomposition it emits toxic fumes of NOx. See also 3-HYDROXYXANTHINE; 3-HYDROXYXANTHINE ACETATE; 1-HYDROXYXANTHINE DIHYDRATE; 3-HYDROXYXANTHINE HYDRATE.
7-Hydroxyxanthine Specification
7-Hydroxyxanthine with cas registry number of 16870-90-9 is also known as 1H-Purine-2,6-dione, 3,7-dihydro-7-hydroxy- ; Xanthine, 7-hydroxy- ; Xanthine 7-N-oxide . 7-Hydroxyxanthine with cas registry number of 16870-90-9 is a tumorigen used in research.
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