1-(3-Chloro-4-fluoro-phenyl)pyrrole-2,5-dione supplier

Name
1-(3-CHLORO-4-FLUORO-PHENYL)-PYRROLE-2,5-DIONE
EINECS
CAS No. 134220-37-4
Article Data3
CAS DataBase
Density 1.54 g/cm³
Solubility
Melting Point
Formula C₁₀H₅ClFNO₂
Boiling Point 367.2 °C at 760 mmHg
Molecular Weight 225.607
Flash Point 175.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-(3-Chloro-4-fluorophenyl)-1H-pyrrole-2,5-dione; 1-(3-Chloro-4-fluorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione; 1-(3-Chloro-4-fluoro-phenyl)-pyrrole-2,5-dione; 1H-Pyrrole-2,5-dione, 1-(3-chloro-4-fluorophenyl)-; T5VNVJ BR CG DF [WLN]
PSA 37.38000
LogP 1.97350

1-(3-Chloro-4-fluoro-phenyl)pyrrole-2,5-dione Specification

The 1-(3-Chloro-4-fluoro-phenyl)pyrrole-2,5-dione is an organic compound with the formula C₁₀H₅ClFNO₂. The IUPAC name of this chemical is 1-(3-chloro-4-fluorophenyl)pyrrole-2,5-dione. With the CAS registry number 134220-37-4, it is also named as 1H-Pyrrole-2,5-dione, 1-(3-chloro-4-fluorophenyl)-.

Physical properties about 1-(3-Chloro-4-fluoro-phenyl)pyrrole-2,5-dione are: (1)ACD/LogP: 2.44; (2)ACD/LogD (pH 5.5): 2.44; (3)ACD/LogD (pH 7.4): 2.44; (4)ACD/BCF (pH 5.5): 42.26; (5)ACD/BCF (pH 7.4): 42.26; (6)ACD/KOC (pH 5.5): 507.54; (7)ACD/KOC (pH 7.4): 507.54; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 37.38 Å²; (11)Index of Refraction: 1.616; (12)Molar Refractivity: 51.21 cm³; (13)Molar Volume: 146.4 cm³; (14)Polarizability: 20.3×10^-24cm³; (15)Surface Tension: 57.4 dyne/cm; (16)Density: 1.54 g/cm³; (17)Flash Point: 175.9 °C; (18)Enthalpy of Vaporization: 61.37 kJ/mol; (19)Boiling Point: 367.2 °C at 760 mmHg; (20)Vapour Pressure: 1.39E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by ethanol, 1-(3-chloro-4-fluoro-phenyl)-pyrrole-2,5-dione and p-toluenesulfonylmethylide. This reaction will need reagent triethylamine. The yield is about 34%.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(Cl)cc(cc1)N2C(=O)\C=C/C2=O
(2)InChI: InChI=1/C10H5ClFNO2/c11-7-5-6(1-2-8(7)12)13-9(14)3-4-10(13)15/h1-5H
(3)InChIKey: MALVOABWAGKNIK-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H5ClFNO2/c11-7-5-6(1-2-8(7)12)13-9(14)3-4-10(13)15/h1-5H
(5)Std. InChIKey: MALVOABWAGKNIK-UHFFFAOYSA-N

Product Name

1-(3-CHLORO-4-FLUORO-PHENYL)-PYRROLE-2,5-DIONE

1-(3-Chloro-4-fluoro-phenyl)pyrrole-2,5-dione Specification

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