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936841-72-4

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Basic Information
CAS No.: 936841-72-4
Name: 3-Methoxy-4-(trifluoromethyl)pyridine
Molecular Structure:
Molecular Structure of 936841-72-4 (3-Methoxy-4-(trifluoromethyl)pyridine)
Formula: C7H6F3NO
Molecular Weight: 177.12
Synonyms: 3-Methoxy-4-(trifluoromethyl)pyridine;
Density: 1.263 g/cm3
Boiling Point: 208.8 °C at 760 mmHg
Flash Point: 80.1 °C
PSA: 22.12000
LogP: 2.10900
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Specification

The 3-Methoxy-4-(trifluoromethyl)pyridine with the CAS number 936841-72-4 is also called Pyridine,3-methoxy-4-(trifluoromethyl)-. Its molecular formula is C7H6F3NO. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 3-Methoxy-4-(trifluoromethyl)pyridine are: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 22.12 Å2; (9)Index of Refraction: 1.427; (10)Molar Refractivity: 36 cm3; (11)Molar Volume: 140.1 cm3; (12)Polarizability: 14.27×10-24cm3; (13)Surface Tension: 25.6 dyne/cm; (14)Enthalpy of Vaporization: 42.69 kJ/mol; (15)Vapour Pressure: 0.303 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cnccc1C(F)(F)F
(2)InChI: InChI=1/C7H6F3NO/c1-12-6-4-11-3-2-5(6)7(8,9)10/h2-4H,1H3
(3)InChIKey: HBYKGNZUBDMUPJ-UHFFFAOYAZ