2-Pyrrolidinone,4-[4-(trifluoromethyl)phenyl]- supplier

Name
1-[4-(TRIFLUOROMETHYL)PHENYL]-2-PYRROLIDINONE
EINECS
CAS No. 73081-88-6
Article Data2
CAS DataBase
Density 1.317 g/cm³
Solubility
Melting Point 134-136 °C
Formula C₁₁H₁₀F₃NO
Boiling Point 368.7 °C at 760 mmHg
Molecular Weight 229.202
Flash Point 176.8 °C
Transport Information
Appearance White to slightly beige crystalline powder
Safety 24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms 1-[4-(Trifluoromethyl)phenyl]pyrrolidin-2-one;1-(4-Trifluoromethylphenyl)-2-pyrrolidinone;
PSA 20.31000
LogP 2.89720

2-Pyrrolidinone,4-[4-(trifluoromethyl)phenyl]- Specification

The 2-Pyrrolidinone,4-[4-(trifluoromethyl)phenyl]- is an organic compound with the formula C₁₁H₁₀F₃NO. The IUPAC name of this chemical is 1-[4-(Trifluoromethyl)phenyl]pyrrolidin-2-one. With the CAS registry number 73081-88-6, it is also named as 1-(4-Trifluoromethylphenyl)-2-pyrrolidinone. Besides, it should be stored in a cool, sealed, dry place. It is white to slightly beige crystalline powder.

The physical properties of 2-Pyrrolidinone,4-[4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.96; (3)ACD/LogD (pH 7.4): 1.96; (4)ACD/BCF (pH 5.5): 18.3; (5)ACD/BCF (pH 7.4): 18.3; (6)ACD/KOC (pH 5.5): 278.82; (7)ACD/KOC (pH 7.4): 278.82; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.504; (12)Molar Refractivity: 51.56 cm³; (13)Molar Volume: 173.9 cm³; (14)Polarizability: 20.44×10^-24 cm³; (15)Surface Tension: 36.5 dyne/cm; (16)Density: 1.317 g/cm³; (17)Flash Point: 176.8 °C; (18)Enthalpy of Vaporization: 61.54 kJ/mol; (19)Boiling Point: 368.7 °C at 760 mmHg; (20)Vapour Pressure: 1.25E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(cc1)N2C(=O)CCC2
(2)InChI: InChI=1/C11H10F3NO/c12-11(13,14)8-3-5-9(6-4-8)15-7-1-2-10(15)16/h3-6H,1-2,7H2
(3)InChIKey: RNCNLNNXQWEWLX-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C11H10F3NO/c12-11(13,14)8-3-5-9(6-4-8)15-7-1-2-10(15)16/h3-6H,1-2,7H2
(5)Std. InChIKey: RNCNLNNXQWEWLX-UHFFFAOYSA-N

Product Name

1-[4-(TRIFLUOROMETHYL)PHENYL]-2-PYRROLIDINONE

2-Pyrrolidinone,4-[4-(trifluoromethyl)phenyl]- Specification

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