2-Pyridinecarbonitrile, 4-iodo- supplier

Name
4-IODO-2-CYANOPYRIDINE
EINECS
CAS No. 913836-19-8
Article Data2
CAS DataBase
Density 2.043 g/cm³
Solubility
Melting Point 67-69ºC
Formula C₆H₃IN₂
Boiling Point 301.716 °C at 760 mmHg
Molecular Weight 230.008
Flash Point 136.273 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xi,Xn
Synonyms 2-Cyano-4-iodopyridine;4-Iodopyridine-2-carbonitrile;
PSA 36.68000
LogP 1.55788

2-Pyridinecarbonitrile, 4-iodo- Specification

This chemical is called 2-Pyridinecarbonitrile, 4-iodo-, and its systematic name is 4-iodopyridine-2-carbonitrile. With the molecular formula of C₆H₃IN₂, its molecular weight is 230.00. The CAS registry number of this chemical is 913836-19-8.

Other characteristics of the 2-Pyridinecarbonitrile, 4-iodo- can be summarised as followings: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 178; (8)ACD/KOC (pH 7.4): 178; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 42.041 cm³; (15)Molar Volume: 112.61 cm³; (16)Polarizability: 16.667×10^-24cm³; (17)Surface Tension: 67.285 dyne/cm; (18)Density: 2.043 g/cm³; (19)Flash Point: 136.273 °C; (20)Enthalpy of Vaporization: 54.188 kJ/mol; (21)Boiling Point: 301.716 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Ic1ccnc(C#N)c1
2.InChI: InChI=1/C6H3IN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
3.InChIKey: BGDBXTAJJAFSGO-UHFFFAOYAF

Product Name

4-IODO-2-CYANOPYRIDINE

2-Pyridinecarbonitrile, 4-iodo- Specification

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