4-Fluoro-2-iodobenzonitrile supplier

Name
2-Iodo-4-fluorobenzonitrile
EINECS
CAS No. 1031929-20-0
Density 1.982 g/cm³
Solubility
Melting Point
Formula C₇H₃FIN
Boiling Point 278.754 °C at 760 mmHg
Molecular Weight 247.01
Flash Point 122.386 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Iodo-4-fluorobenzonitrile;Benzonitrile, 4-fluoro-2-iodo-;
PSA 23.79000
LogP 2.30198

4-Fluoro-2-iodobenzonitrile Specification

4-Fluoro-2-iodobenzonitrile is an organic compound with the formula C₇H₃FIN, and its systematic name is the same with the product name. With the CAS registry number 1031929-20-0, it is also named as 2-Iodo-4-fluorobenzonitrile. In addition, the molecular weight is 247.01.

Physical properties of 4-Fluoro-2-iodobenzonitrile are: (1)ACD/LogP: 2.534; (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): 49.68; (6)ACD/BCF (pH 7.4): 49.68; (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: 44.355 cm³; (15)Molar Volume: 124.621 cm³; (16)Polarizability: 17.584×10^-24cm³; (17)Surface Tension: 51.79 dyne/cm; (18)Density: 1.982 g/cm³; (19)Flash Point: 122.386 °C; (20)Enthalpy of Vaporization: 51.739 kJ/mol; (21)Boiling Point: 278.754 °C at 760 mmHg; (22)Vapour Pressure: 0.004 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1ccc(F)cc1I
(2)Std. InChI: InChI=1S/C7H3FIN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H
(3)Std. InChIKey: RGCHISPSDYWBMX-UHFFFAOYSA-N

Product Name

2-Iodo-4-fluorobenzonitrile

4-Fluoro-2-iodobenzonitrile Specification

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