Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Imidazole-2-carboxylicacid, 1-methyl-4-nitro-, ethyl ester |
EINECS | N/A |
CAS No. | 109012-23-9 | Density | 1.42 g/cm3 |
PSA | 89.94000 | LogP | 1.02820 |
Solubility | N/A | Melting Point |
N/A |
Formula | C7H9N3O4 | Boiling Point | 350.7 °C at 760 mmHg |
Molecular Weight | 199.166 | Flash Point | 165.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Ethyl1-methyl-4-nitroimidazole-2-carboxylate; |
Article Data | 7 |
This chemical is called 1H-Imidazole-2-carboxylicacid, 1-methyl-4-nitro-, ethyl ester, and its systematic name is ethyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate. With the molecular formula of C7H9N3O4, its molecular weight is 199.16. The CAS registry number of this chemical is 109012-23-9.
Other characteristics of the 1H-Imidazole-2-carboxylicacid, 1-methyl-4-nitro-, ethyl ester can be summarised as followings: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.13; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 38.01; (8)ACD/KOC (pH 7.4): 38.01; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 89.94 Å2; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 46.79 cm3; (15)Molar Volume: 139.6 cm3; (16)olarizability: 18.55×10-24cm3; (17)Surface Tension: 54.1 dyne/cm; (18)Density: 1.42 g/cm3; (19)Flash Point: 165.9 °C; (20)Enthalpy of Vaporization: 59.53 kJ/mol; (21)Boiling Point: 350.7 °C at 760 mmHg; (22)Vapour Pressure: 4.33E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)c1nc([N+]([O-])=O)cn1C
2.InChI: InChI=1/C7H9N3O4/c1-3-14-7(11)6-8-5(10(12)13)4-9(6)2/h4H,3H2,1-2H3
3.InChIKey: QGTGFMLXIBQONB-UHFFFAOYAG