Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Fluoroindole-3-acetonitrile |
EINECS | N/A |
CAS No. | 73139-85-2 | Density | 1.316 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H7FN2 | Boiling Point | 377.3 °C at 760 mmHg |
Molecular Weight | 174.177 | Flash Point | 182 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(5-fluoro-1H-indol-3-yl)acetonitrile;1H-indole-3-acetonitrile, 5-fluoro-; |
Article Data | 10 |
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