7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,3,6-dihydro- supplier

Name
8-AZAHYPOXANTHINE
EINECS 220-244-3
CAS No. 2683-90-1
Article Data11
CAS DataBase
Density 2.26 g/cm³
Solubility
Melting Point 332 °C (decomp)(Solv: water (7732-18-5))
Formula C₄H₃N₅O
Boiling Point 228.1 °C at 760 mmHg
Molecular Weight 137.101
Flash Point 91.7 °C
Transport Information
Appearance Light yellow to light beige fine crystalline
Safety 24/25
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,1,4-dihydro- (9CI);7H-v-Triazolo[4,5-d]pyrimidin-7-one, 1,6-dihydro-(6CI,7CI,8CI);1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-ol;1H-v-Triazolo[4,5-d]pyrimidin-7-ol;7-Hydroxy-1,2,3,4,6-pentaazaindene;7-Hydroxy-v-triazolo[d]pyrimidine;8-Azahypoxanthine;NSC 22709;
PSA 87.32000
LogP -0.95880

7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,3,6-dihydro- Specification

The CAS register number of 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,3,6-dihydro- is 2683-90-1. It also can be called as 1H-1,2,3-Triazolo[4,5-d]pyrimidin-7-ol and the IUPAC name about this chemical is 2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one. The molecular formula about this chemical is C₄H₃N₅O and the molecular weight is 137.1. It belongs to the following product categories which include Pyrimidine; Biochemistry; Nucleobases and their analogs; Nucleosides, Nucleotides & Related Reagents; Fused Ring Systems and so on. This chemical is irritating to eyes, respiratory system and skin. If you want to use it, avoid contact with skin and eyes.

Physical properties about 7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,3,6-dihydro- are: (1)ACD/LogP: -0.99; (2)#H bond acceptors: 6; (3)#H bond donors: 1; (4)Polar Surface Area: 69.75 Å²; (5)Index of Refraction: 2.087; (6)Molar Refractivity: 31.99 cm³; (7)Molar Volume: 60.5 cm³; (8)Polarizability: 12.68x10^-24cm³; (9)Surface Tension: 127.7 dyne/cm; (10)Density: 2.26 g/cm³; (11)Flash Point: 95.2 °C; (12)Enthalpy of Vaporization: 47.05 kJ/mol; (13)Boiling Point: 233.8 °C at 760 mmHg; (14)Vapour Pressure: 0.0548 mmHg at 25 °C.

Preparation: this chemical can be prepared by 5-amino-1H-[1,2,3]triazole-4-carboxylic acid amide and formic acid ethyl ester. This reaction will need reagent of sodium ethoxide and solvent of ethanol. The reaction needs heating. The yield is about 60%.

7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,3,6-dihydro- can be prepared by 5-amino-1H-[1,2,3]triazole-4-carboxylic acid amide and formic acid ethyl ester.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/N=C\N=C1\N\N=N/C12
(2)InChI: InChI=1/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1-2H,(H,5,6,7,8,10)
(3)InChIKey: LDKPKEKEAANEIT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C4H3N5O/c10-4-2-3(5-1-6-4)8-9-7-2/h1-2H,(H,5,6,7,8,10)
(5)Std. InChIKey: LDKPKEKEAANEIT-UHFFFAOYSA-N

Product Name

8-AZAHYPOXANTHINE

7H-1,2,3-Triazolo[4,5-d]pyrimidin-7-one,3,6-dihydro- Specification

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