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Benzonitrile, 5-iodo-2-methyl-

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Name

Benzonitrile, 5-iodo-2-methyl-

EINECS N/A
CAS No. 52107-68-3 Density 1.78 g/cm3
PSA 23.79000 LogP 2.47128
Solubility N/A Melting Point N/A
Formula C8H6IN Boiling Point 275.8 °C at 760 mmHg
Molecular Weight 243.047 Flash Point 120.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 52107-68-3 (5-iodo-2-methylbenzenecarbonitrile) Hazard Symbols N/A
Synonyms

o-Tolunitrile, 5-iodo- (7CI);5-Iodo-2-methylbenzonitrile;

Article Data 3

Benzonitrile, 5-iodo-2-methyl- Specification

The Benzonitrile, 5-iodo-2-methyl- is an organic compound with the molecular formula C8H6IN. Its CAS registry number is 52107-68-3 and its IUPAC name is 5-Iodo-2-methylbenzonitrile. What's more, the chemical's molecular weight is 243.0444. 

Physical properties about Benzonitrile, 5-iodo-2-methyl- are: (1)ACD/LogP: 3.21; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 23.79 Å2; (7)Index of Refraction: 1.638; (8)Molar Refractivity: 48.86 cm3; (9)Molar Volume: 135.8 cm3; (10)Polarizability: 19.37×10-24 cm3; (11)Surface Tension: 52.2 dyne/cm; (12)Density: 1.78 g/cm3; (13)Flash Point: 120.6 °C; (14)Enthalpy of Vaporization: 51.43 kJ/mol; (15)Boiling Point: 275.8 °C at 760 mmHg; (16)Vapour Pressure: 0.00497 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Ic1cc(C#N)c(cc1)C
(2) InChI: InChI=1/C8H6IN/c1-6-2-3-8(9)4-7(6)5-10/h2-4H,1H3
(3) InChIKey: QPGQEWLZKVSLPK-UHFFFAOYAH

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