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| CAS No.: | 175277-44-8 |
|---|---|
| Name: | 5-(TRIFLUOROMETHYL)PYRIDINE-2-CARBOXAMIDE OXIME |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C7H6F3N3O |
| Molecular Weight: | 205.139 |
| Synonyms: | 5-(Trifluoromethyl)pyridin-2-carboxamide oxime; |
| EINECS: | 604-604-1 |
| Density: | 1.527 g/cm3 |
| Melting Point: | 124-126°C |
| Boiling Point: | 328.112 °C at 760 mmHg |
| Flash Point: | 152.237 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 22-36/37/39 |
| PSA: | 71.50000 |
| LogP: | 1.89520 |
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Specification
The 5-(Trifluoromethyl)pyridin-2-carboxamide oxime with the CAS number 175277-44-8 is also called 2-Pyridinecarboximidamide,N-hydroxy-5-(trifluoromethyl)-. The systematic name is N'-hydroxy-5-(trifluoromethyl)pyridine-2-carboximidamide. Its molecular formula is C7H6F3N3O. The product category is pharmacetical.
The properties of the chemical are: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 52; (8)ACD/KOC (pH 7.4): 52; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 71.5 Å2; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 41.273 cm3; (15)Molar Volume: 134.337 cm3; (16)Polarizability: 16.362×10-24cm3; (17)Surface Tension: 39.878 dyne/cm; (18)Enthalpy of Vaporization: 60.219 kJ/mol; (19)Vapour Pressure: 0 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 dust. Then you should wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C(/N)c1ccc(cn1)C(F)(F)F
(2)InChI: InChI=1/C7H6F3N3O/c8-7(9,10)4-1-2-5(12-3-4)6(11)13-14/h1-3,14H,(H2,11,13)
(3)InChIKey: IOVAOMNWIMZGCG-UHFFFAOYAO