6-Fluoroindole-3-acetonitrile supplier

Name
6-fluoroindole-3-acetonitrile
EINECS
CAS No. 2341-25-5
Article Data8
CAS DataBase
Density 1.316g/cm³
Solubility
Melting Point
Formula C₁₀H₇FN₂
Boiling Point 377.3 °C at 760 mmHg
Molecular Weight 174.177
Flash Point 182 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Indole-3-acetonitrile,6-fluoro- (6CI,7CI,8CI);2-(6-Fluoro-1H-indol-3-yl)acetonitrile;
PSA 39.58000
LogP 2.37308

6-Fluoroindole-3-acetonitrile Specification

The 6-Fluoroindole-3-acetonitrile with cas registry number of 2341-25-5, has the systematic name of (6-fluoro-1H-indol-3-yl)acetonitrile. And it is also named 1H-Indole-3-acetonitrile, 6-fluoro-.

Physical properties about this chemical are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.42; (4)ACD/LogD (pH 7.4): 1.42; (5)ACD/BCF (pH 5.5): 7.13; (6)ACD/BCF (pH 7.4): 7.13; (7)ACD/KOC (pH 5.5): 141.95; (8)ACD/KOC (pH 7.4): 141.95; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 39.58 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 47.98 cm³; (15)Molar Volume: 132.2 cm³; (16)Polarizability: 19.02×10^-24cm³; (17)Surface Tension: 56.5 dyne/cm; (18)Enthalpy of Vaporization: 62.5 kJ/mol; (19)Vapour Pressure: 6.83E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc2c(c1)ncc2CC#N;
(2)InChI: InChI=1/C10H7FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2;
(3)InChIKey: PLNHDPOPGAMJAW-UHFFFAOYAH;
(4)Std. InChI: InChI=1S/C10H7FN2/c11-8-1-2-9-7(3-4-12)6-13-10(9)5-8/h1-2,5-6,13H,3H2;
(5)Std. InChIKey: PLNHDPOPGAMJAW-UHFFFAOYSA-N

Product Name

6-fluoroindole-3-acetonitrile

6-Fluoroindole-3-acetonitrile Specification

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