CAS No.120122-47-6,1-METHYL-4-NITRO-2-(TRICHLOROACETYL)-1H-PYRROLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	120122-47-6
Name:	1-METHYL-4-NITRO-2-(TRICHLOROACETYL)-1H-PYRROLE
Article Data:	27

Formula:	C₇H₅Cl₃N₂O₃
Molecular Weight:	271.49
Synonyms:	1-Methyl-4-nitro-2-(trichloroacetyl)-1H-pyrrole;2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethanone;4-Nitro-2-(trichloroacetyl)-N-methylpyrrole;N-Methyl-4-nitro-2-(trichloroacetyl)pyrrole;T5NJ A1 BVXGGG DNW;AC1MC1M4;
Density:	1.66 g/cm³
Melting Point:	132-135 °C
Boiling Point:	319.1 °C at 760 mmHg
Flash Point:	146.8 °C
PSA:	67.82000
LogP:	3.00940

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Specification

The Ethanone,2,2,2-trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)- with CAS registry number of 120122-47-6 is also known as 1-Methyl-4-nitro-2-(trichloroacetyl)pyrrole. The IUPAC name is 2,2,2-Trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)ethanone. In addition, the formula is C₇H₅Cl₃N₂O₃ and the molecular weight is 271.49. What's more, the storage temperature is -15 °C.

Physical properties about Ethanone,2,2,2-trichloro-1-(1-methyl-4-nitro-1H-pyrrol-2-yl)- are: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2.27; (3)ACD/LogD (pH 7.4): 2.27; (4)ACD/BCF (pH 5.5): 31.17; (5)ACD/BCF (pH 7.4): 31.17; (6)ACD/KOC (pH 5.5): 408.18; (7)ACD/KOC (pH 7.4): 408.18; (8)#H bond acceptors: 5; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.616; (11)Molar Refractivity: 56.87 cm³; (12)Molar Volume: 162.6 cm³; (13)Surface Tension: 58 dyne/cm; (14)Density: 1.66 g/cm³; (15)Flash Point: 146.8 °C; (16)Enthalpy of Vaporization: 56.07 kJ/mol; (17)Boiling Point: 319.1 °C at 760 mmHg; (18)Vapour Pressure: 0.000345 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: O=[N+]([O-])c1cc(C(=O)C(Cl)(Cl)Cl)n(c1)C
2. InChI: InChI=1/C7H5Cl3N2O3/c1-11-3-4(12(14)15)2-5(11)6(13)7(8,9)10/h2-3H,1H3
3. InChIKey: WASYNLWEPOHNBM-UHFFFAOYAF
4. Std. InChI: InChI=1S/C7H5Cl3N2O3/c1-11-3-4(12(14)15)2-5(11)6(13)7(8,9)10/h2-3H,1H3
5. Std. InChIKey: WASYNLWEPOHNBM-UHFFFAOYSA-N