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4,6-Dichloronicotinonitrile

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Name

4,6-Dichloronicotinonitrile

EINECS N/A
CAS No. 166526-03-0 Density 1.5 g/cm3
PSA 36.68000 LogP 2.26008
Solubility N/A Melting Point 133-135 °C
Formula C6H2Cl2N2 Boiling Point 272.885 °C at 760 mmHg
Molecular Weight 173.001 Flash Point 118.837 °C
Transport Information N/A Appearance N/A
Safety 45 Risk Codes 25
Molecular Structure Molecular Structure of 166526-03-0 (4,6-Dichloronicotinonitrile) Hazard Symbols T
Synonyms

3-Cyano-4,6-dichloropyridine;

 

4,6-Dichloronicotinonitrile Specification

The CAS register number of 4,6-Dichloronicotinonitrile is 166526-03-0. It also can be called as 3-Cyano-4,6-dichloropyridine. The molecular formula about this chemical is C6H2Cl2N2 and the molecular weight is 173. This chemical is irritant.

Physical properties about 4,6-Dichloronicotinonitrile are: (1)ACD/LogP: 1.78; (2)ACD/LogD (pH 5.5): 1.783; (3)ACD/LogD (pH 7.4): 1.783; (4)ACD/BCF (pH 5.5): 13.333; (5)ACD/BCF (pH 7.4): 13.333; (6)ACD/KOC (pH 5.5): 222.245; (7)ACD/KOC (pH 7.4): 222.245; (8)#H bond acceptors: 2; (9)Polar Surface Area: 36.68 Å2; (10)Index of Refraction: 1.587; (11)Molar Refractivity: 38.774 cm3; (12)Molar Volume: 115.371 cm3; (13)Polarizability: 15.371x10-24cm3; (14)Surface Tension: 61.317 dyne/cm; (15)Density: 1.5 g/cm3; (16)Flash Point: 118.837 °C; (17)Enthalpy of Vaporization: 51.12 kJ/mol; (18)Boiling Point: 272.885 °C at 760 mmHg; (19)Vapour Pressure: 0.006 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(c(cnc1Cl)C#N)Cl
(2)InChI: InChI=1/C6H2Cl2N2/c7-5-1-6(8)10-3-4(5)2-9/h1,3H
(3)InChIKey: VNRGFXKFARXGSX-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C6H2Cl2N2/c7-5-1-6(8)10-3-4(5)2-9/h1,3H
(5)Std. InChIKey: VNRGFXKFARXGSX-UHFFFAOYSA-N

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