| Identification | |
| Name: | Benzonitrile,2-methoxy-5-(trifluoromethyl)- |
| Synonyms: | 2-Cyano-4-(trifluoromethyl)anisole;NCR BO1 EXFFF;Benzonitrile, 2-methoxy-5-(trifluoromethyl)-; |
| CAS: | 34636-92-5 |
| Molecular Formula: | C9H6F3NO |
| Molecular Weight: | 201.14 |
| InChI: | InChI=1/C9H6F3NO/c1-14-8-3-2-7(9(10,11)12)4-6(8)5-13/h2-4H,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.3 g/cm3 |
| Refractive index: | 1.463 |
| Specification: |
The 2-Methoxy-5-(trifluoromethyl)benzonitrile, with the CAS registry number 34636-92-5, is also called Benzonitrile, 2-methoxy-5-(trifluoromethyl)-. It belongs to the product category of Aromatic Nitriles. And the molecular formula of the chemical is C9H6F3NO. The characteristics of 2-Methoxy-5-(trifluoromethyl)benzonitrile are as followings: (1)ACD/LogP: 3.46; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 3.46; (5)ACD/BCF (pH 5.5): 251.89; (6)ACD/BCF (pH 7.4): 251.89; (7)ACD/KOC (pH 5.5): 1821.33; (8)ACD/KOC (pH 7.4): 1821.33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å2; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 42.67 cm3; (15)Molar Volume: 154.6 cm3; (16)Polarizability: 16.91×10-24cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.3 g/cm3; (19)Flash Point: 109.1 °C; (20)Enthalpy of Vaporization: 49.43 kJ/mol; (21)Boiling Point: 256.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0151 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
| Safety Data | |
 |
|
