Ethanone,2,2,2-trichloro-1-(1-methyl-1H-pyrrol-2-yl)- supplier

Name
2-TRICHLOROACETYL-1-METHYLPYRROLE
EINECS
CAS No. 21898-65-7
Article Data38
CAS DataBase
Density 1.44 g/cm³
Solubility
Melting Point 64-66°C
Formula C₇H₆Cl₃NO
Boiling Point 272.1 °C at 760 mmHg
Molecular Weight 226.49
Flash Point 118.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ketone,1-methylpyrrol-2-yl trichloromethyl (8CI);1-Methyl-2-(trichloroacetyl)pyrrole;2-Trichloroacetyl-1-methylpyrrole;N-Methyl-2-(trichloroacetyl)pyrrole;
PSA 22.00000
LogP 2.57800

Ethanone,2,2,2-trichloro-1-(1-methyl-1H-pyrrol-2-yl)- Specification

The Ethanone,2,2,2-trichloro-1-(1-methyl-1H-pyrrol-2-yl)-, with CAS registry number 21898-65-7, belongs to the following product category: Pyrroles & Indoles. It has the systematic name of 2,2,2-trichloro-1-(1-methyl-1H-pyrrol-2-yl)ethanone. And the chemical formula of this chemical is C₇H₆Cl₃NO.

Physical properties of Ethanone,2,2,2-trichloro-1-(1-methyl-1H-pyrrol-2-yl)-: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.44; (4)ACD/LogD (pH 7.4): 2.44; (5)ACD/BCF (pH 5.5): 42.34; (6)ACD/BCF (pH 7.4): 42.34; (7)ACD/KOC (pH 5.5): 508.18; (8)ACD/KOC (pH 7.4): 508.18; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22 Å²; (13)Index of Refraction: 1.565; (14)Molar Refractivity: 51.21 cm³; (15)Molar Volume: 157.1 cm³; (16)Polarizability: 20.3×10^-24cm³; (17)Surface Tension: 43.4 dyne/cm; (18)Density: 1.44 g/cm³; (19)Flash Point: 118.4 °C; (20)Enthalpy of Vaporization: 51.04 kJ/mol; (21)Boiling Point: 272.1 °C at 760 mmHg; (22)Vapour Pressure: 0.00619 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1cccn1C)C(Cl)(Cl)Cl
(2)InChI: InChI=1/C7H6Cl3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h2-4H,1H3
(3)InChIKey: LWGNISUGCOYWRL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C7H6Cl3NO/c1-11-4-2-3-5(11)6(12)7(8,9)10/h2-4H,1H3
(5)Std. InChIKey: LWGNISUGCOYWRL-UHFFFAOYSA-N

Product Name

2-TRICHLOROACETYL-1-METHYLPYRROLE

Ethanone,2,2,2-trichloro-1-(1-methyl-1H-pyrrol-2-yl)- Specification

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