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CAS No.: | 261635-93-2 |
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Name: | 2-METHYL-6-(TRIFLUOROMETHYL)NICOTINIC ACID |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C8H6F3NO2 |
Molecular Weight: | 205.136 |
Synonyms: | 2-Methyl-6-(trifluoromethyl)pyridine-3-carboxylicacid;2-Methyl-6-trifluoromethylnicotinic acid; |
Density: | 1.415 g/cm3 |
Melting Point: | 139-141℃ |
Boiling Point: | 253.036 °C at 760 mmHg |
Flash Point: | 106.833 °C |
Solubility: | Slightly soluble in water (4.7 g/L at 25°C). |
Hazard Symbols: | C,Xn |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 50.19000 |
LogP: | 2.10700 |
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This chemical is called 3-Pyridinecarboxylic acid, 2-methyl-6-(trifluoromethyl)-, and its systematic name is 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylic acid. With the molecular formula of C8H6F3NO2, its molecular weight is 205.13. The CAS registry number of this chemical is 261635-93-2. Additionally, its product categories are Carboxylic Acids; Pyridines; Carboxylic Acids.
Other characteristics of the 3-Pyridinecarboxylic acid, 2-methyl-6-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å2; (11)Index of Refraction: 1.479; (12)Molar Refractivity: 41.079 cm3; (13)Molar Volume: 144.972 cm3; (14)Polarizability: 16.285×10-24cm3; (15)Surface Tension: 37.354 dyne/cm; (16)Density: 1.415 g/cm3; (17)Flash Point: 106.833 °C; (18)Enthalpy of Vaporization: 51.817 kJ/mol; (19)Boiling Point: 253.036 °C at 760 mmHg; (20)Vapour Pressure: 0.01 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1c(ccc(n1)C(F)(F)F)C(=O)O
2.InChI: InChI=1/C8H6F3NO2/c1-4-5(7(13)14)2-3-6(12-4)8(9,10)11/h2-3H,1H3,(H,13,14)
3.InChIKey: ODWJFUQRQUCRJZ-UHFFFAOYAW