Basic Information | Post buying leads | Suppliers |
Name |
1H-Imidazole, nitro- |
EINECS | 208-425-5 |
CAS No. | 36877-68-6 | Density | 1.553 g/cm3 |
PSA | 74.50000 | LogP | 0.84110 |
Solubility | insoluble | Melting Point |
287℃ (dec.) |
Formula | C3H3N3O2 | Boiling Point | 373.593 °C at 760 mmHg |
Molecular Weight | 113.0748 | Flash Point | 179.743 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes |
Xn:Harmful; |
|
Molecular Structure | Hazard Symbols | R22:; R36/37/38:; | |
Synonyms |
Nitroimidazole; |
The 1H-Imidazole, nitro- is an organic compound with the formula C3H3N3O2. The IUPAC name of this chemical is 2-nitro-1H-imidazole. With the CAS registry number 36877-68-6, it is also named as 2-Nitroimidazol.
Physical properties about 1H-Imidazole, nitro- are: (1)ACD/LogP: 0.15; (2)ACD/LogD (pH 5.5): 0.15; (3)ACD/LogD (pH 7.4): 0.13; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 28.73; (7)ACD/KOC (pH 7.4): 27.442; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 74.5 Å2; (12)Index of Refraction: 1.612; (13)Molar Refractivity: 25.323 cm3; (14)Molar Volume: 72.821 cm3; (15)Polarizability: 10.039×10-24cm3; (16)Surface Tension: 78.142 dyne/cm; (17)Density: 1.553 g/cm3; (18)Flash Point: 179.743 °C; (19)Enthalpy of Vaporization: 62.088 kJ/mol; (20)Boiling Point: 373.593 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cnc([nH]1)[N+](=O)[O-]
(2)InChI: InChI=1/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
(3)InChIKey: YZEUHQHUFTYLPH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C3H3N3O2/c7-6(8)3-4-1-2-5-3/h1-2H,(H,4,5)
(5)Std. InChIKey: YZEUHQHUFTYLPH-UHFFFAOYSA-N