3-Methyl-2-(trifluoromethyl)-1H-indole supplier

Name
3-Methyl-2-(trifluoromethyl)-1H-indole
EINECS
CAS No. 913955-35-8
Article Data34
CAS DataBase
Density 1.313
Solubility
Melting Point 73-74 °C
Formula C₁₀H₈F₃N
Boiling Point 266.5 °C at 760 mmHg
Molecular Weight 199.175
Flash Point 115 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-METHYL-2-TRIFLUOROMETHYLINDOLE;3-Methyl-2-(trifluoromethyl)-1H-indole
PSA 15.79000
LogP 3.49510

3-Methyl-2-(trifluoromethyl)-1H-indole Specification

The 3-Methyl-2-(trifluoromethyl)-1H-indole, with cas registry number 913955-35-8, has the systematic name of 3-methyl-2-(trifluoromethyl)-1H-indole. Besides this, it is also called 1H-indole, 3-methyl-2-(trifluoromethyl)-. And the chemical formula of this chemical is C₁₀H₈F₃N.

Physical properties about this chemical are: (1)ACD/LogP: 3.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.17; (4)ACD/LogD (pH 7.4): 3.17; (5)ACD/BCF (pH 5.5): 152.2; (6)ACD/BCF (pH 7.4): 152.2; (7)ACD/KOC (pH 5.5): 1269.94; (8)ACD/KOC (pH 7.4): 1269.94; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 4.93 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 48.33 cm³; (15)Molar Volume: 151.6 cm³; (16)Polarizability: 19.16×10^-24cm³; (17)Surface Tension: 33.7 dyne/cm; (18)Enthalpy of Vaporization: 48.42 kJ/mol; (19)Vapour Pressure: 0.0141 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2c(c1ccccc1n2)C
(2)InChI: InChI=1/C10H8F3N/c1-6-7-4-2-3-5-8(7)14-9(6)10(11,12)13/h2-5,14H,1H3
(3)InChIKey: ZQTPBODDVRYHSY-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C10H8F3N/c1-6-7-4-2-3-5-8(7)14-9(6)10(11,12)13/h2-5,14H,1H3
(5)Std. InChIKey: ZQTPBODDVRYHSY-UHFFFAOYSA-N

Product Name

3-Methyl-2-(trifluoromethyl)-1H-indole

3-Methyl-2-(trifluoromethyl)-1H-indole Specification

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