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5-Chloro-3-cyanopyridine

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Name

5-Chloro-3-cyanopyridine

EINECS N/A
CAS No. 51269-82-0 Density 1.331 g/cm3
PSA 36.68000 LogP 1.60668
Solubility N/A Melting Point N/A
Formula C6H3ClN2 Boiling Point 208.287 °C at 760 mmHg
Molecular Weight 138.556 Flash Point 79.77 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51269-82-0 (5-CHLORO-3-CYANOPYRIDINE) Hazard Symbols IrritantXi
Synonyms

5-Chloro-3-pyridinecarbonitrile;3-Chloro-5-cyanopyridine;

Article Data 2

5-Chloro-3-cyanopyridine Specification

The 3-Pyridinecarbonitrile,5-chloro-, with the CAS registry number 51269-82-0, has the systematic name of 5-chloropyridine-3-carbonitrile. It is a kind of organics, and should be stored in sealed containers, and should keep dry and cool at the same time. And the molecular formula of the chemical is C6H3ClN2.

The characteristics of 3-Pyridinecarbonitrile,5-chloro- are as followings: (1)ACD/LogP: 0.98; (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): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 146; (8)ACD/KOC (pH 7.4): 146; (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: 1.566; (14)Molar Refractivity: 33.946 cm3; (15)Molar Volume: 104.13 cm3; (16)Polarizability: 13.457×10-24cm3; (17)Surface Tension: 56.674 dyne/cm; (18)Density: 1.331 g/cm3; (19)Flash Point: 79.77 °C; (20)Enthalpy of Vaporization: 44.455 kJ/mol; (21)Boiling Point: 208.287 °C at 760 mmHg; (22)Vapour Pressure: 0.215 mmHg at 25°C.  

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1cncc(Cl)c1
(2)InChI: InChI=1/C6H3ClN2/c7-6-1-5(2-8)3-9-4-6/h1,3-4H
(3)InChIKey: VHVCXRPJVSZARD-UHFFFAOYAM

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