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| CAS No.: | 158063-67-3 |
|---|---|
| Name: | 2,6-DICHLORO-4-(TRIFLUOROMETHYL)NICOTINAMIDE |
| Molecular Structure: | |
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|
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| Formula: | C7H3Cl2F3N2O |
| Molecular Weight: | 259.01 |
| Synonyms: | 2,6-Dichloro-4-(trifluoromethyl)nicotinamide; |
| Density: | 1.631 g/cm3 |
| Melting Point: | 198-200 °C |
| Boiling Point: | 266.6 °C at 760 mmHg |
| Flash Point: | 115 °C |
| Solubility: | at 25 deg C (mg/L): 5608 |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 55.98000 |
| LogP: | 3.20640 |
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- Total:29 Page 1 of 1 1
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Specification
The 3-Pyridinecarboxamide,2,6-dichloro-4-(trifluoromethyl)- is an organic compound with the formula C7H3Cl2F3N2O. The systematic name of this chemical is 2,6-Dichloro-4-(trifluoromethyl)pyridine-3-carboxamide. With the CAS registry number 158063-67-3, it is also named as 4-(Trifluoromethyl)nicotinic acid. Besides, its molecular weight is 259.01.
Physical properties about 3-Pyridinecarboxamide,2,6-dichloro-4-(trifluoromethyl)- are: (1)ACD/LogP: 1.35; (2)ACD/LogD (pH 5.5): 1.35; (3)ACD/LogD (pH 7.4): 1.35; (4)ACD/BCF (pH 5.5): 6.2; (5)ACD/BCF (pH 7.4): 6.2; (6)ACD/KOC (pH 5.5): 128.44; (7)ACD/KOC (pH 7.4): 128.44; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 33.2 Å2; (12)Index of Refraction: 1.517; (13)Molar Refractivity: 48.04 cm3; (14)Molar Volume: 158.7 cm3; (15)Polarizability: 19.04×10-24 cm3; (16)Surface Tension: 42.2 dyne/cm; (17)Density: 1.631 g/cm3; (18)Flash Point: 115 °C; (19)Enthalpy of Vaporization: 50.45 kJ/mol; (20)Boiling Point: 266.6 °C at 760 mmHg; (21)Vapour Pressure: 0.00858 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. When you are 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)InChI: InChI=1/C7H3Cl2F3N2O/c8-3-1-2(7(10,11)12)4(6(13)15)5(9)14-3/h1H,(H2,13,15)
(2)InChIKey: KPMYDDLYJBPUEY-UHFFFAOYAQ
(3)Std. InChI: InChI=1S/C7H3Cl2F3N2O/c8-3-1-2(7(10,11)12)4(6(13)15)5(9)14-3/h1H,(H2,13,15)
(4)Std. InChIKey: KPMYDDLYJBPUEY-UHFFFAOYSA-N