1H-Indole-2-carboxylicacid, 6-(trifluoromethyl)- supplier

Name
6-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID
EINECS
CAS No. 327-20-8
Density 1.549 g/cm³
Solubility
Melting Point 163-164 °C
Formula C₁₀H₆F₃NO₂
Boiling Point 402.5 °C at 760 mmHg
Molecular Weight 229.158
Flash Point 197.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-2-carboxylicacid, 6-(trifluoromethyl)- (6CI,8CI);
PSA 53.09000
LogP 2.88490

1H-Indole-2-carboxylicacid, 6-(trifluoromethyl)- Specification

The CAS register number of 1H-Indole-2-carboxylicacid, 6-(trifluoromethyl)- is 327-20-8. It also can be called as 6-(trifluoromethyl)indole-2-carboxylic acid and the IUPAC name about this chemical is 6-(trifluoromethyl)-1H-indole-2-carboxylic acid. The molecular formula about this chemical is C₁₀H₆F₃NO₂ and the molecular weight is 229.16. It belongs to the following product categories which include Pharmacetical; Indole; Indoles and so on.

Physical properties about 1H-Indole-2-carboxylicacid, 6-(trifluoromethyl)- are: (1)ACD/LogP: 2.88; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/LogD (pH 7.4): -0.06; (4)ACD/BCF (pH 5.5): 3.16; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.55; (7)ACD/KOC (pH 7.4): 1.01; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 31.23Å²; (12)Index of Refraction: 1.597; (13)Molar Refractivity: 50.43 cm³; (14)Molar Volume: 147.9 cm³; (15)Polarizability: 19.99x10^-24cm³; (16)Surface Tension: 48.3 dyne/cm; (17)Flash Point: 197.2 °C; (18)Enthalpy of Vaporization: 68.93 kJ/mol; (19)Boiling Point: 402.5 °C at 760 mmHg; (20)Vapour Pressure: 3.35E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc2c(c1)nc(c2)C(=O)O
(2)InChI: InChI=1/C10H6F3NO2/c11-10(12,13)6-2-1-5-3-8(9(15)16)14-7(5)4-6/h1-4,14H,(H,15,16)
(3)InChIKey: CDWGDLKZKCYUFO-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C10H6F3NO2/c11-10(12,13)6-2-1-5-3-8(9(15)16)14-7(5)4-6/h1-4,14H,(H,15,16)
(5)Std. InChIKey: CDWGDLKZKCYUFO-UHFFFAOYSA-N

Product Name

6-TRIFLUOROMETHYL-1H-INDOLE-2-CARBOXYLIC ACID

1H-Indole-2-carboxylicacid, 6-(trifluoromethyl)- Specification

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