CAS No.174734-34-0,5-Methoxy-2-trifluoromethylindole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	174734-34-0
Name:	5-Methoxy-2-trifluoromethylindole
Article Data:	11

Formula:	C₁₀H₈F₃NO
Molecular Weight:	215.175
Synonyms:	2-Trifluoromethyl-5-methoxyindole;5-Methoxy-2-trifluoromethylindole;5-Methoxy-2-(trifluoromethyl)-1H-indole;
Density:	1.35 g/cm³
Melting Point:	50-51 °C
Boiling Point:	300.713 °C at 760 mmHg
Flash Point:	135.667 °C
PSA:	25.02000
LogP:	3.19530

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Specification

The systematic name of 5-Methoxy-2-trifluoromethylindole is 5-Methoxy-2-(trifluoromethyl)-1H-indole. With the CAS registry number 174734-34-0, it is also named as 1H-Indole,5-methoxy-2-(trifluoromethyl)-. The product's category is API intermediates. In addition, its molecular formula is C₁₀H₈F₃NO and its molecular weight is 215.17.

The other characteristics of 5-Methoxy-2-trifluoromethylindole can be summarized as: (1)ACD/LogP: 2.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 59; (6)ACD/BCF (pH 7.4): 59; (7)ACD/KOC (pH 5.5): 642; (8)ACD/KOC (pH 7.4): 642; (9)H bond acceptors: 2; (10)H bond donors: 1; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.02 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 50.187 cm³; (15)Molar Volume: 159.385 cm³; (16)Polarizability: 19.896×10^-24cm³; (17)Surface Tension: 33.9 dyne/cm; (18)Density: 1.35 g/cm³; (19)Flash Point: 135.667 °C; (20)Melting point: 50-51 °C; (21)Enthalpy of Vaporization: 51.918 kJ/mol; (22)Boiling Point: 300.713 °C at 760 mmHg; (23)Vapour Pressure: 0.002 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:FC(F)(F)c1cc2cc(ccc2n1)OC
(2)InChI:InChI=1/C10H8F3NO/c1-15-7-2-3-8-6(4-7)5-9(14-8)10(11,12)13/h2-5,14H,1H3
(3)InChIKey:RNPWUJSUMVAYCZ-UHFFFAOYAN
(4)Std. InChI:InChI=1S/C10H8F3NO/c1-15-7-2-3-8-6(4-7)5-9(14-8)10(11,12)13/h2-5,14H,1H3
(5)Std. InChIKey:RNPWUJSUMVAYCZ-UHFFFAOYSA-N