Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrrole-2-carboxylicacid, 1-methyl-4-nitro-, ethyl ester |
EINECS | N/A |
CAS No. | 2853-29-4 | Density | 1.31 g/cm3 |
PSA | 77.05000 | LogP | 1.63320 |
Solubility | N/A | Melting Point |
113-114 °C |
Formula | C8H10N2O4 | Boiling Point | 317.4 °C at 760 mmHg |
Molecular Weight | 198.178 | Flash Point | 145.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Pyrrole-2-carboxylicacid, 1-methyl-4-nitro-, ethyl ester (6CI,7CI);1-Methyl-4-nitropyrrole-2-carboxylicacid ethyl ester;Ethyl 1-methyl-4-nitropyrrole-2-carboxylate; |
Article Data | 11 |
The CAS register number of 1H-Pyrrole-2-carboxylicacid, 1-methyl-4-nitro-, ethyl ester is 2853-29-4. It also can be called as 1-Methyl-4-nitropyrrole-2-carboxylicacid ethyl ester and the systematic name about this chemical is ethyl 1-methyl-4-nitro-1H-pyrrole-2-carboxylate. The molecular formula about this chemical is C8H10N2O4 and the molecular weight is 198.18.
Physical properties about 1H-Pyrrole-2-carboxylicacid, 1-methyl-4-nitro-, ethyl ester are: (1)ACD/LogP: 1.95; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 17.92; (5)ACD/BCF (pH 7.4): 17.92; (6)ACD/KOC (pH 5.5): 274.62; (7)ACD/KOC (pH 7.4): 274.62; (8)#H bond acceptors: 6; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 77.05 Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 48.34 cm3; (13)Molar Volume: 151 cm3; (14)Polarizability: 19.16x10-24cm3; (15)Surface Tension: 48 dyne/cm; (16)Density: 1.31 g/cm3; (17)Flash Point: 145.8 °C; (18)Enthalpy of Vaporization: 55.88 kJ/mol; (19)Boiling Point: 317.4 °C at 760 mmHg; (20)Vapour Pressure: 0.000385 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=[N+]([O-])c1cc(C(=O)OCC)n(c1)C
(2)InChI: InChI=1/C8H10N2O4/c1-3-14-8(11)7-4-6(10(12)13)5-9(7)2/h4-5H,3H2,1-2H3
(3)InChIKey: XOLGKCDCFJPOEY-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C8H10N2O4/c1-3-14-8(11)7-4-6(10(12)13)5-9(7)2/h4-5H,3H2,1-2H3
(5)Std. InChIKey: XOLGKCDCFJPOEY-UHFFFAOYSA-N