5-Pyrimidinecarbonitrile,1,2-dihydro-2-oxo- supplier

Name
5-Pyrimidinecarbonitrile, 1,2-dihydro-2-oxo- (7CI,9CI)
EINECS
CAS No. 1753-49-7
Article Data4
CAS DataBase
Density 1.45 g/cm³
Solubility
Melting Point 266-268 °C
Formula C₅H₃N₃O
Boiling Point 425.7 °C at 760 mmHg
Molecular Weight 121.098
Flash Point 211.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-Pyrimidinecarbonitrile,2-hydroxy- (8CI);
PSA 69.80000
LogP 0.05388

5-Pyrimidinecarbonitrile,1,2-dihydro-2-oxo- Specification

The CAS registry number of 5-Pyrimidinecarbonitrile,1,2-dihydro-2-oxo- is 1753-49-7. It belongs to the product category of Pyrimidine. This chemical is also named as 5-Cyano-2-hydroxypyrimidine. In addition, its molecular formula is C₅H₃N₃O and molecular weight is 121.09682. Its systematic name is called 2-hydroxypyrimidine-5-carbonitrile.

Physical properties about this chemical are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Index of Refraction: 1.601; (9)Molar Refractivity: 28.44 cm³; (10)Molar Volume: 83 cm³; (11)Surface Tension: 95.2 dyne/cm; (12)Density: 1.45 g/cm³; (13)Flash Point: 211.2 °C; (14)Enthalpy of Vaporization: 70.67 kJ/mol; (15)Boiling Point: 425.7 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1cnc(O)nc1
(2)InChI: InChI=1/C5H3N3O/c6-1-4-2-7-5(9)8-3-4/h2-3H,(H,7,8,9)
(3)InChIKey: VIALDVYHGXADJR-UHFFFAOYAU

Product Name

5-Pyrimidinecarbonitrile, 1,2-dihydro-2-oxo- (7CI,9CI)

5-Pyrimidinecarbonitrile,1,2-dihydro-2-oxo- Specification

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