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| CAS No.: | 121643-44-5 |
|---|---|
| Name: | 2-Methoxy-3-(trifluoromethyl)pyridine |
| Article Data: | 11 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H6F3NO |
| Molecular Weight: | 177.12 |
| Synonyms: | 2-Methoxy-3-(trifluormethyl)pyridin;ZINC00166574;AC1MCQ4Z;TPC-PY090;MolPort-000-140-667; |
| Density: | 1.297 g/cm3 |
| Boiling Point: | 172.9 °C at 760 mmHg |
| Flash Point: | 58.4 °C |
| Appearance: | Light yellow liquid |
| Hazard Symbols: |
 T,  Xi,  Xn
|
| Risk Codes: | 10-25-36/37/38-20/21/22 |
| Safety: | 16-26-45-36 |
| Transport Information: | UN 1992 3/PG 3 |
| PSA: | 22.12000 |
| LogP: | 2.10900 |
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Specification
The 2-Methoxy-3-(trifluoromethyl)pyridine with CAS registry number of 121643-44-5 is also known as Pyridine,2-methoxy-3-(trifluoromethyl)-. The IUPAC name and product name are the same. It belongs to product categories of Pyridines; Pyridine; C7 and C8; Heterocyclic Building Blocks. In addition, the formula is C7H6F3NO and the molecular weight is 177.12. This chemical should be stored in sealed containers in cool, dry place and away from oxidizing agents.
Physical properties about 2-Methoxy-3-(trifluoromethyl)pyridine are: (1)ACD/LogP: 2.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.36; (4)ACD/LogD (pH 7.4): 2.36; (5)ACD/BCF (pH 5.5): 36.5; (6)ACD/BCF (pH 7.4): 36.5; (7)ACD/KOC (pH 5.5): 456.99; (8)ACD/KOC (pH 7.4): 457; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 36 cm3; (15)Molar Volume: 140.1 cm3; (16)Surface Tension: 25.6 dyne/cm; (17)Density: 1.263 g/cm3; (18)Flash Point: 58.4 °C; (19)Enthalpy of Vaporization: 39.25 kJ/mol; (20)Boiling Point: 172.9 °C at 760 mmHg; (21)Vapour Pressure: 1.73 mmHg at 25 °C.
Preparation of 2-Methoxy-3-(trifluoromethyl)pyridine: it is prepared by reaction of methanol with 2-chloro-3-trifluoromethylpyridine. The reaction needs reagent sodium and other condition of heating for 6 hours. The yield is about 67%.
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When you are using this chemical, please be cautious about it. As a chemical, it is irritating to eyes, respiratory system and skin. Besides, it is harmful by inhalation, in contact with skin and if swallowed and is also flammable. During using it, wear suitable protective clothing and keep away from sources of ignition. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If accident happens or you feel unwell seek medical advice immediately.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC1=C(C=CC=N1)C(F)(F)F
2. InChI: InChI=1S/C7H6F3NO/c1-12-6-5(7(8,9)10)3-2-4-11-6/h2-4H,1H3
3. InChIKey: SSAZZVQVJJXPMB-UHFFFAOYSA-N