1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)- supplier

Name
1-(3-NITROPHENYL)-2,5-DIMETHYLPYRROLE
EINECS
CAS No. 32570-23-3
Article Data12
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₂N₂O₂
Boiling Point 352.3 °C at 760 mmHg
Molecular Weight 216.239
Flash Point 166.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-(3-Nitrophenyl)-2,5-dimethylpyrrole;
PSA 50.75000
LogP 3.52550

1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)- Specification

The 1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)-, with the CAS registry number 32570-23-3, is also known as 1-(3-Nitrophenyl)-2,5-dimethylpyrrole. This chemical's molecular formula is C₁₂H₁₂N₂O₂ and molecular weight is 216.2359. What's more, its systematic name is called 2,5-Dimethyl-1-(3-nitrophenyl)-1H-pyrrole.

Physical properties about 1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)- are: (1)ACD/LogP: 3.73; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 50.75 Å²; (7)Index of Refraction: 1.592; (8)Molar Refractivity: 61.99 cm³; (9)Molar Volume: 183.1 cm³; (10)Polarizability: 24.57×10^-24 cm³; (11)Surface Tension: 44.3 dyne/cm; (12)Density: 1.18 g/cm³; (13)Flash Point: 166.9 °C; (14)Enthalpy of Vaporization: 57.35 kJ/mol; (15)Boiling Point: 352.3 °C at 760 mmHg; (16)Vapour Pressure: 7.87E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cccc(c1)n2c(ccc2C)C
(2) InChI: InChI=1/C12H12N2O2/c1-9-6-7-10(2)13(9)11-4-3-5-12(8-11)14(15)16/h3-8H,1-2H3
(3) InChIKey: KGSYQKFMWVMRRU-UHFFFAOYAB

Product Name

1-(3-NITROPHENYL)-2,5-DIMETHYLPYRROLE

1H-Pyrrole,2,5-dimethyl-1-(3-nitrophenyl)- Specification

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