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Name |
Benzamide,2-(trifluoromethoxy)- |
EINECS | N/A |
CAS No. | 127979-74-2 | Density | 1.381g/cm3 |
PSA | 52.32000 | LogP | 2.38440 |
Solubility | N/A | Melting Point |
153 °C |
Formula | C8H6F3NO2 | Boiling Point | 241.8 °C at 760 mmHg |
Molecular Weight | 205.136 | Flash Point | 100.1 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(Trifluoromethoxy)benzamide; |
Article Data | 3 |
The Benzamide,2-(trifluoromethoxy)-, with CAS registry number 127979-74-2, has the systematic name of 2-(trifluoromethoxy)benzamide. Besides this, it is also called (R)-1-[3-(Trifluoromethyl)phenyl]ethylamine. And the chemical formula of this chemical is C8H6F3NO2.
Physical properties of Benzamide,2-(trifluoromethoxy)-: (1)ACD/LogP: 1.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.91; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 16.52; (6)ACD/BCF (pH 7.4): 16.52; (7)ACD/KOC (pH 5.5): 259.13; (8)ACD/KOC (pH 7.4): 259.13; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.481; (14)Molar Refractivity: 42.31 cm3; (15)Molar Volume: 148.5 cm3; (16)Polarizability: 16.77×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.381 g/cm3; (19)Flash Point: 100.1 °C; (20)Enthalpy of Vaporization: 47.88 kJ/mol; (21)Boiling Point: 241.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0351 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The Benzamide,2-(trifluoromethoxy)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1ccccc1C(=O)N
(2)InChI: InChI=1/C8H6F3NO2/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
(3)InChIKey: XXTXDVUAHROLBN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-4-2-1-3-5(6)7(12)13/h1-4H,(H2,12,13)
(5)Std. InChIKey: XXTXDVUAHROLBN-UHFFFAOYSA-N