Product Name

  • Name

    5-Methoxy-2-(trifluoromethyl)pyridine

  • EINECS 1308068-626-2
  • CAS No. 216766-13-1
  • Article Data2
  • CAS DataBase
  • Density 1.11g/cm3
  • Solubility
  • Melting Point
  • Formula C7H6F3NO
  • Boiling Point 176.8 °C at 760 mmHg
  • Molecular Weight 177.126
  • Flash Point 60.7 °C
  • Transport Information
  • Appearance
  • Safety 26-36-45
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 216766-13-1 (5-Methoxy-2-(trifluoromethyl)pyridine)
  • Hazard Symbols ToxicT; IrritantXi
  • Synonyms 5-Methoxy-2-(trifluoromethyl)pyridine
  • PSA 22.12000
  • LogP 2.10900

5-Methoxy-2-(trifluoromethyl)pyridine Specification

The Pyridine,5-methoxy-2-(trifluoromethyl)-, with CAS registry number 216766-13-1, has the systematic name of 5-methoxy-2-(trifluoromethyl)pyridine. Besides this, it is also called 3-Methoxy-6-(Trifluoromethyl)pyridine. And the chemical formula of this chemical is C7H6F3NO.

Physical properties of Pyridine,5-methoxy-2-(trifluoromethyl)-: (1)ACD/LogP: 2.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 2.34; (5)ACD/BCF (pH 5.5): 35.29; (6)ACD/BCF (pH 7.4): 35.29; (7)ACD/KOC (pH 5.5): 446.11; (8)ACD/KOC (pH 7.4): 446.11; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.427; (14)Molar Refractivity: 36 cm3; (15)Molar Volume: 140.1 cm3; (16)Polarizability: 14.27×10-24cm3; (17)Surface Tension: 25.6 dyne/cm; (18)Density: 1.263 g/cm3; (19)Flash Point: 60.7 °C; (20)Enthalpy of Vaporization: 39.62 kJ/mol; (21)Boiling Point: 176.8 °C at 760 mmHg; (22)Vapour Pressure: 1.44 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Pyridine,5-methoxy-2-(trifluoromethyl)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(OC)cn1
(2)InChI: InChI=1/C7H6F3NO/c1-12-5-2-3-6(11-4-5)7(8,9)10/h2-4H,1H3
(3)InChIKey: MRHJZBSCOLVMGA-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H6F3NO/c1-12-5-2-3-6(11-4-5)7(8,9)10/h2-4H,1H3
(5)Std. InChIKey: MRHJZBSCOLVMGA-UHFFFAOYSA-N

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