5-Fluoroindole-3-acetonitrile supplier

Name
5-FLUOROINDOLE-3-ACETONITRILE
EINECS
CAS No. 73139-85-2
Article Data10
CAS DataBase
Density 1.316 g/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 (5-fluoro-1H-indol-3-yl)acetonitrile;1H-indole-3-acetonitrile, 5-fluoro-;
PSA
LogP

5-Fluoroindole-3-acetonitrile Specification

The 1H-Indole-3-acetonitrile,5-fluoro-, with the CAS registry number 73139-85-2, has the systematic name of (5-fluoro-1H-indol-3-yl)acetonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₀H₇FN₂.

The characteristics of 1H-Indole-3-acetonitrile,5-fluoro- are as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.51; (5)ACD/BCF (pH 5.5): 8.28; (6)ACD/BCF (pH 7.4): 8.28; (7)ACD/KOC (pH 5.5): 158.06; (8)ACD/KOC (pH 7.4): 158.06; (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)Density: 1.316 g/cm³; (19)Flash Point: 182 °C; (20)Enthalpy of Vaporization: 62.5 kJ/mol; (21)Boiling Point: 377.3 °C at 760 mmHg; (22)Vapour Pressure: 6.83E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cc2c(cc1)ncc2CC#N
(2)InChI: InChI=1/C10H7FN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2
(3)InChIKey: HHMIZCBOTYJRQU-UHFFFAOYAW

Product Name

5-FLUOROINDOLE-3-ACETONITRILE

5-Fluoroindole-3-acetonitrile Specification

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