-
Name
4-Hydroxy-1H-1,2,3-triazolo[4,5-d]pyrimidine-5,7(4H,6H)-dione
- EINECS
- CAS No. 42028-33-1
- Density 2.164g/cm3
- Solubility
- Melting Point
- Formula C4H3N5O3
- Boiling Point °Cat760mmHg
- Molecular Weight 169.12
- Flash Point °C
- Transport Information
- Appearance
- Safety Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Hydroxy-8-azaxanthine;4-Hydroxy-3H-v-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione;
- PSA 116.66000
- LogP -1.95480
3-Hydroxy-8-azaxanthine Chemical Properties
Product Name: 3-Hydroxy-8-azaxanthine (CAS NO.42028-33-1)
Molecular Formula: C4H3N5O3
Molecular Weight: 169.12g/mol
Mol File: 42028-33-1.mol
Density: 2.164 g/cm3
Surface Tension: 181.8 dyne/cm
XLogP3-AA: -1.5
H-Bond Donor: 3
H-Bond Acceptor: 5
Structure Descriptors of 3-Hydroxy-8-azaxanthine (CAS NO.42028-33-1):
IUPAC Name: 4-Hydroxy-2H-triazolo[4,5-d]pyrimidine-5,7-dione
Canonical SMILES: C12=NNN=C1N(C(=O)NC2=O)O
InChI: InChI=1S/C4H3N5O3/c10-3-1-2(7-8-6-1)9(12)4(11)5-3/h12H,(H,5,10,11)(H,6,7,8)
InChIKey: CDDIMGICOMBXAX-UHFFFAOYSA-N
3-Hydroxy-8-azaxanthine Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
3-Hydroxy-8-azaxanthine Specification
3-Hydroxy-8-azaxanthine , its CAS NO. is 42028-33-1, the synonyms are 4-Hydroxy-3H-v-triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione ; 3H-v-Triazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 4-hydroxy- .
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