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| CAS No.: | 658-91-3 |
|---|---|
| Name: | 3-(TRIFLUOROMETHOXY)BENZAMIDE |
| Molecular Structure: | |
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| Formula: | C8H6F3NO2 |
| Molecular Weight: | 205.136 |
| Synonyms: | m-Anisamide,a,a,a-trifluoro- (6CI,8CI);3-Trifluoromethoxybenzamide; |
| Density: | 1.381 g/cm3 |
| Melting Point: | 115-117 °C |
| Boiling Point: | 233.8 °C at 760 mmHg |
| Flash Point: | 95.2 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 52.32000 |
| LogP: | 2.38440 |
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Specification
The CAS registry number of Benzamide,3-(trifluoromethoxy)- is 658-91-3. It belongs to the product category of Carboxylic Acids, Amides, Anilides, Anhydrides & Salts. This chemical's molecular formula is C8H6F3NO2 and molecular weight is 205.13. What's more, both its IUPAC name and systematic name are the same which is called 3-(Trifluoromethoxy)benzamide.
Physical properties about Benzamide,3-(trifluoromethoxy)- are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 15.95; (6)ACD/BCF (pH 7.4): 15.95; (7)ACD/KOC (pH 5.5): 252.72; (8)ACD/KOC (pH 7.4): 252.72; (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: 16.77×10-24 cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.381 g/cm3; (19)Flash Point: 95.2 °C; (20)Enthalpy of Vaporization: 47.05 kJ/mol; (21)Boiling Point: 233.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0548 mmHg at 25 °C.
When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes. As a chemical, it is irritating to eyes, respiratory system and skin. During using it, wear suitable protective clothing. In case of 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)Oc1cc(ccc1)C(=O)N
(2)InChI: InChI=1/C8H6F3NO2/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H2,12,13)
(3)InChIKey: RRANUIMYSXUNCN-UHFFFAOYAD