-
Name
4-(2,2,2-TRIFLUOROETHOXY)BENZONITRILE
- EINECS
- CAS No. 56935-76-3
- Article Data20
- CAS DataBase
- Density 1.29 g/cm3
- Solubility
- Melting Point
- Formula C9H6F3NO
- Boiling Point 246.449 °C at 760 mmHg
- Molecular Weight 201.148
- Flash Point 102.849 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-(2,2,2-Trifluoroethoxy)benzonitrile;p-Cyanophenyl 2,2,2-trifluoroethyl ether;
- PSA 33.02000
- LogP 2.49938
Benzonitrile,4-(2,2,2-trifluoroethoxy)- Specification
The CAS register number of Benzonitrile,4-(2,2,2-trifluoroethoxy)- is 56935-76-3. It also can be called as p-Cyanophenyl 2,2,2-trifluoroethyl ether and the IUPAC name about this chemical is 4-(2,2,2-trifluoroethoxy)benzonitrile. The molecular formula about this chemical is C9H6F3NO and the molecular weight is 201.15. It belongs to the following product categories which include Aromatic Nitriles; Pharmacetical and so on.
Physical properties about Benzonitrile,4-(2,2,2-trifluoroethoxy)- are: (1)ACD/LogP: 2.46; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 84; (5)ACD/BCF (pH 7.4): 84; (6)ACD/KOC (pH 5.5): 829; (7)ACD/KOC (pH 7.4): 829; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 33.02Å2; (11)Index of Refraction: 1.462; (12)Molar Refractivity: 42.683 cm3; (13)Molar Volume: 155.144 cm3; (14)Polarizability: 16.921x10-24cm3; (15)Surface Tension: 34.291 dyne/cm; (16)Enthalpy of Vaporization: 48.357 kJ/mol; (17)Boiling Point: 246.449 °C at 760 mmHg; (18)Vapour Pressure: 0.027 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)COc1ccc(C#N)cc1
(2)InChI: InChI=1/C9H6F3NO/c10-9(11,12)6-14-8-3-1-7(5-13)2-4-8/h1-4H,6H2
(3)InChIKey: ASHNFUJQYKNUCF-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C9H6F3NO/c10-9(11,12)6-14-8-3-1-7(5-13)2-4-8/h1-4H,6H2
(5)Std. InChIKey: ASHNFUJQYKNUCF-UHFFFAOYSA-N
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