3-Pyridinecarbonitrile,4-iodo- supplier

Name
4-IODOPYRIDINE-3-CARBONITRILE
EINECS
CAS No. 490039-72-0
Article Data3
CAS DataBase
Density 2.043 g/cm³
Solubility
Melting Point ca 124℃
Formula C₆H₃IN₂
Boiling Point 309.485 °C at 760 mmHg
Molecular Weight 230.008
Flash Point 140.972 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Iodo-3-pyridinecarbonitrile;
PSA 36.68000
LogP 1.55788

3-Pyridinecarbonitrile,4-iodo- Specification

This chemical is called 3-Pyridinecarbonitrile,4-iodo-, and its systematic name is 4-Iodopyridine-3-carbonitrile. With the molecular formula of C₆H₃IN₂, its molecular weight is 230.01. The CAS registry number of this chemical is 490039-72-0. Additionally, its product category is Pyridines.

Other characteristics of the 3-Pyridinecarbonitrile,4-iodo- can be summarised as followings: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 127; (8)ACD/KOC (pH 7.4): 127; (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: 140.972 °C; (20)Enthalpy of Vaporization: 55.024 kJ/mol; (21)Boiling Point: 309.485 °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: Ic1ccncc1C#N
2.InChI: InChI=1/C6H3IN2/c7-6-1-2-9-4-5(6)3-8/h1-2,4H
3.InChIKey: CJKHIIQONPNAIP-UHFFFAOYAF

Product Name

4-IODOPYRIDINE-3-CARBONITRILE

3-Pyridinecarbonitrile,4-iodo- Specification

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