2-(Trifluoromethyl)-1H-indole-3-acetic acid supplier

Name
2-(Trifluoromethyl)-1H-indole-3-acetic acid
EINECS
CAS No. 132502-93-3
Article Data5
CAS DataBase
Density 1.493 g/cm³
Solubility
Melting Point
Formula C₁₁H₈F₃NO₂
Boiling Point 387.3 °C at 760 mmHg
Molecular Weight 243.185
Flash Point 188 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Trifluoromethyl)-1H-indole-3-acetic acid;2-Trifluoromethylindole-3-acetic acid;
PSA 53.09000
LogP 2.81380

2-(Trifluoromethyl)-1H-indole-3-acetic acid Specification

The 2-(Trifluoromethyl)-1H-indole-3-acetic acid with the cas number 132502-93-3 is also called 1H-Indole-3-aceticacid, 2-(trifluoromethyl)-. The systematic name is [2-(trifluoromethyl)-1H-indol-3-yl]acetic acid. Its molecular formula is C₁₁H₈F₃NO₂. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.66; (4)ACD/LogD (pH 7.4): -1.11; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 13.43; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 31.23 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 54.62 cm³; (15)Molar Volume: 162.8 cm³; (16)Polarizability: 21.65×10^-24cm³; (17)Surface Tension: 46.9 dyne/cm; (18)Enthalpy of Vaporization: 67.12 kJ/mol ; (19)Vapour Pressure: 1.08×10^-6 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c2c(c1ccccc1n2)CC(=O)O
(2)InChI: InChI=1/C11H8F3NO2/c12-11(13,14)10-7(5-9(16)17)6-3-1-2-4-8(6)15-10/h1-4,15H,5H2,(H,16,17)
(3)InChIKey: QZRVCUOJFCWPCW-UHFFFAOYAX

Product Name

2-(Trifluoromethyl)-1H-indole-3-acetic acid

2-(Trifluoromethyl)-1H-indole-3-acetic acid Specification

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