1H-Pyrrole-2-carbonylchloride, 1-methyl-4-nitro- supplier

Name
1-METHYL-4-NITRO-1H-PYRROLE-2-CARBONYL CHLORIDE
EINECS
CAS No. 28494-51-1
Article Data33
CAS DataBase
Density 1.54 g/cm³
Solubility
Melting Point
Formula C₆H₅ClN₂O₃
Boiling Point 298.978 °C at 760 mmHg
Molecular Weight 188.57
Flash Point 134.618 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-METHYL-4-NITRO-1H-PYRROLE-2-CARBONYL CHLORIDE
PSA 67.82000
LogP 1.83550

1H-Pyrrole-2-carbonylchloride, 1-methyl-4-nitro- Specification

The CAS registry number of 1H-Pyrrole-2-carbonylchloride, 1-methyl-4-nitro- is 28494-51-1. This chemical's molecular formula is C₆H₅ClN₂O₃and 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

Product Name

1-METHYL-4-NITRO-1H-PYRROLE-2-CARBONYL CHLORIDE

1H-Pyrrole-2-carbonylchloride, 1-methyl-4-nitro- Specification

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