2-Trifluoromethylindole supplier

Name
2-Trifluoromethylindole
EINECS
CAS No. 51310-54-4
Article Data3
CAS DataBase
Density 1.368 g/cm³
Solubility
Melting Point 106-110°C
Formula C₉H₆F₃N
Boiling Point 256.676 °C at 760 mmHg
Molecular Weight 185.149
Flash Point 109.034 °C
Transport Information
Appearance
Safety 26-45
Risk Codes 25-36/37/38
Molecular Structure
Hazard Symbols T
Synonyms 2-Trifluoromethylindole;
PSA 15.79000
LogP 3.18670

2-Trifluoromethylindole Specification

The 2-Trifluoromethylindole is an organic compound with the formula C₉H₆F₃N. The systematic name of this chemical is 2-(trifluoromethyl)-1H-indole. With the CAS registry number 51310-54-4, it is also named as 1H-indole, 2-(trifluoromethyl)-. The product's category is API Intermediates. In addition, the molecular weight is 185.15.

The other characteristics of 2-Trifluoromethylindole can be summarized as: (1)ACD/LogP: 3.09; (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): 68; (6)ACD/BCF (pH 7.4): 68; (7)ACD/KOC (pH 5.5): 714; (8)ACD/KOC (pH 7.4): 714; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å²; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 43.508 cm³; (15)Molar Volume: 135.382 cm³; (16)Polarizability: 17.248×10^-24 cm³; (17)Surface Tension: 34.421 dyne/cm; (18)Density: 1.368 g/cm³; (19)Flash Point: 109.034 °C; (20)Enthalpy of Vaporization: 47.424 kJ/mol; (21)Boiling Point: 256.676 °C at 760 mmHg; (22)Vapour Pressure: 0.024 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:FC(F)(F)c2cc1ccccc1n2
2. InChI:InChI=1/C9H6F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H
3. InChIKey:QFHVHZJGQWMBTE-UHFFFAOYAD
4. Std. InChI:InChI=1S/C9H6F3N/c10-9(11,12)8-5-6-3-1-2-4-7(6)13-8/h1-5,13H
5. Std. InChIKey:QFHVHZJGQWMBTE-UHFFFAOYSA-N

Product Name

2-Trifluoromethylindole

2-Trifluoromethylindole Specification

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