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| CAS No.: | 175204-85-0 |
|---|---|
| Name: | 4-(Trifluoromethyl)pyridine-3-carboxamide oxime |
| Molecular Structure: | |
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| Formula: | C7H6F3N3O |
| Molecular Weight: | 205.14 |
| Synonyms: | 4-(Trifluoromethyl)pyridine-3-carboxamide oxime;N'-Hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide;N-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide; |
| Density: | 1.52 g/cm3 |
| Melting Point: | 178-181°C |
| Boiling Point: | 361.9 °C at 760 mmHg |
| Flash Point: | 172.7 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 23-37/39-26 |
| PSA: | 71.50000 |
| LogP: | 1.89520 |
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Specification
The 4-(Trifluoromethyl)pyridine-3-carboxamide oxime with the CAS number 175204-85-0 is also called 3-Pyridinecarboximidamide,N-hydroxy-4-(trifluoromethyl)-. The systematic name is N'-hydroxy-4-(trifluoromethyl)pyridine-3-carboximidamide. Its molecular formula is C7H6F3N3O. The product category is Pyridines.
The properties of the chemical are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.63; (4)ACD/LogD (pH 7.4): 0.63; (5)ACD/BCF (pH 5.5): 1.76; (6)ACD/BCF (pH 7.4): 1.77; (7)ACD/KOC (pH 5.5): 52.05; (8)ACD/KOC (pH 7.4): 52.29; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.72 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 41.27 cm3; (15)Molar Volume: 134.3 cm3; (16)Polarizability: 16.36×10-24cm3; (17)Surface Tension: 39.8 dyne/cm; (18)Enthalpy of Vaporization: 64.12 kJ/mol; (19)Vapour Pressure: 7.19×10-6 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should not breathe vapour. Then you should wear suitable gloves and eye/face protection. Finally in case of contact with eyes, you should 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)c1ccncc1C(=NO)N
(2)InChI: InChI=1/C7H6F3N3O/c8-7(9,10)5-1-2-12-3-4(5)6(11)13-14/h1-3,14H,(H2,11,13)
(3)InChIKey: TWNDDLQXEIPJNK-UHFFFAOYAC