Benzonitrile, 5-iodo-2-methyl- supplier

Name
5-iodo-2-methylbenzenecarbonitrile
EINECS
CAS No. 52107-68-3
Article Data3
CAS DataBase
Density 1.78 g/cm³
Solubility
Melting Point
Formula C₈H₆IN
Boiling Point 275.8 °C at 760 mmHg
Molecular Weight 243.047
Flash Point 120.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms o-Tolunitrile, 5-iodo- (7CI);5-Iodo-2-methylbenzonitrile;
PSA 23.79000
LogP 2.47128

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

Product Name

5-iodo-2-methylbenzenecarbonitrile

Benzonitrile, 5-iodo-2-methyl- Specification

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