2-Fluoro-4-iodobenzonitrile supplier

Name
2-FLUORO-4-IODOBENZONITRILE
EINECS 604-024-8
CAS No. 137553-42-5
Article Data2
CAS DataBase
Density 1.98 g/cm³
Solubility Slightly soluble in water.
Melting Point 103.7-104.6 °C
Formula C₇H₃FIN
Boiling Point 264 °C at 760 mmHg
Molecular Weight 247.01
Flash Point 113.4 °C
Transport Information
Appearance
Safety
Risk Codes T,Xi:Toxic;
Molecular Structure
Hazard Symbols T, Xi
Synonyms 3-Fluoro-4-cyano-1-iodobenzene;
PSA 23.79000
LogP 2.30198

2-Fluoro-4-iodobenzonitrile Specification

The Benzonitrile,2-fluoro-4-iodo- with the CAS number 137553-42-5 is also called 3-Fluoro-4-cyano-1-iodobenzene. The systematic name is 2-fluoro-4-iodobenzonitrile. Its molecular formula is C₇H₃FIN. This chemical belongs to the following product categories: (1)Aromatic Nitriles; (2)Fluorine Compounds; (3)Iodine Compounds; (4)Nitriles.

The properties of the Benzonitrile,2-fluoro-4-iodo- are: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.67; (6)ACD/BCF (pH 7.4): 49.67; (7)ACD/KOC (pH 5.5): 569.78; (8)ACD/KOC (pH 7.4): 569.78; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 44.35 cm³; (15)Molar Volume: 124.6 cm³; (16)Polarizability: 17.58×10^-24cm³; (17)Surface Tension: 51.7 dyne/cm; (18)Enthalpy of Vaporization: 50.18 kJ/mol; (19)Vapour Pressure: 0.00998 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(F)cc(I)cc1
(2)InChI: InChI=1/C7H3FIN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H
(3)InChIKey: WHQVXHBSTRFRCE-UHFFFAOYAE

Product Name

2-FLUORO-4-IODOBENZONITRILE

2-Fluoro-4-iodobenzonitrile Specification

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