Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrrole-2-carbonylchloride, 1-methyl-4-nitro- |
EINECS | N/A |
CAS No. | 28494-51-1 | Density | 1.54 g/cm3 |
PSA | 67.82000 | LogP | 1.83550 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H5ClN2O3 | Boiling Point | 298.978 °C at 760 mmHg |
Molecular Weight | 188.57 | Flash Point | 134.618 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1-METHYL-4-NITRO-1H-PYRROLE-2-CARBONYL CHLORIDE |
Article Data | 33 |
The CAS registry number of 1H-Pyrrole-2-carbonylchloride, 1-methyl-4-nitro- is 28494-51-1. This chemical's molecular formula is C6H5ClN2O3 and molecular weight is 188.5685. What's more, its systematic name is called 1-Methyl-4-nitro-1H-pyrrole-2-carbonyl chloride.
Physical properties about 1H-Pyrrole-2-carbonylchloride, 1-methyl-4-nitro- are: (1)ACD/LogP: 1.58; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 96; (8)ACD/KOC (pH 7.4): 96; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.82 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 42.527 cm3; (15)Molar Volume: 122.466 cm3; (16)Polarizability: 16.859×10-24 cm3; (17)Surface Tension: 57.876 dyne/cm; (18)Density: 1.54 g/cm3; (19)Flash Point: 134.618 °C; (20)Enthalpy of Vaporization: 53.894 kJ/mol; (21)Boiling Point: 298.978 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1cc(C(Cl)=O)n(C)c1
(2) InChI: InChI=1/C6H5ClN2O3/c1-8-3-4(9(11)12)2-5(8)6(7)10/h2-3H,1H3
(3) InChIKey: ZBXBOVMIODZOBQ-UHFFFAOYAJ