Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Nitropyrimidine |
EINECS | N/A |
CAS No. | 14080-32-1 | Density | 1.426 g/cm3 |
PSA | 71.60000 | LogP | 0.90800 |
Solubility | N/A | Melting Point |
56-58℃ |
Formula | C4H3N3O2 | Boiling Point | 252.424 °C at 760 mmHg |
Molecular Weight | 125.087 | Flash Point | 106.463 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Nitropyrimidine; |
Article Data | 4 |
This chemical is called Pyrimidine, 5-nitro-, and its systematic name is 5-nitropyrimidine. With the molecular formula of C4H3N3O2, its molecular weight is 125.09. The CAS registry number of this chemical is 14080-32-1. Additionally, its product category is Pyrimidine.
Other characteristics of the Pyrimidine, 5-nitro- can be summarised as followings: (1)ACD/LogP: -0.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20; (8)ACD/KOC (pH 7.4): 20; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 71.6 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 28.981 cm3; (15)Molar Volume: 87.723 cm3; (16)Polarizability: 11.489×10-24cm3; (17)Surface Tension: 67.084 dyne/cm; (18)Density: 1.426 g/cm3; (19)Flash Point: 106.463 °C; (20)Enthalpy of Vaporization: 46.997 kJ/mol; (21)Boiling Point: 252.424 °C at 760 mmHg; (22)Vapour Pressure: 0.031 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: [O-][N+](=O)c1cncnc1
2.InChI: InChI=1/C4H3N3O2/c8-7(9)4-1-5-3-6-2-4/h1-3H
3.InChIKey: NOYDQGFVFOQSAJ-UHFFFAOYAH