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3-Pyridinecarbonitrile, 2,4-dichloro-

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Name

3-Pyridinecarbonitrile, 2,4-dichloro-

EINECS N/A
CAS No. 180995-12-4 Density 1.49 g/cm3
PSA 36.68000 LogP 2.26008
Solubility Slightly soluble in water. Melting Point N/A
Formula C6H2Cl2N2 Boiling Point 293 °C at 760 mmHg
Molecular Weight 173.001 Flash Point 131 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 180995-12-4 (2,4-DICHLORO-3-CYANOPYRIDINE) Hazard Symbols N/A
Synonyms

2,4-Dichloronicotinonitrile;

Article Data 8

3-Pyridinecarbonitrile, 2,4-dichloro- Specification

This chemical is called 3-Pyridinecarbonitrile, 2,4-dichloro-, and its systematic name is 2,4-dichloropyridine-3-carbonitrile. With the molecular formula of C6H2Cl2N2, its molecular weight is 172.99948. The CAS registry number of this chemical is 180995-12-4. Additionally, its product category is Pyridine.

Other characteristics of the 3-Pyridinecarbonitrile, 2,4-dichloro- can be summarised as followings: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.11; (6)ACD/BCF (pH 7.4): 9.11; (7)ACD/KOC (pH 5.5): 169.23; (8)ACD/KOC (pH 7.4): 169.23; (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: 1.587; (14)Molar Refractivity: 38.77 cm3; (15)Molar Volume: 115.3 cm3; (16)Polarizability: 15.37×10-24cm3; (17)Surface Tension: 61.3 dyne/cm; (18)Density: 1.49 g/cm3; (19)Flash Point: 131 °C; (20)Enthalpy of Vaporization: 53.25 kJ/mol; (21)Boiling Point: 293 °C at 760 mmHg; (22)Vapour Pressure: 0.00177 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: N#Cc1c(Cl)ccnc1C
2.InChI: InChI=1/C6H2Cl2N2/c7-5-1-2-10-6(8)4(5)3-9/h1-2H
3.InChIKey: OQYZEFBWEXEOPL-UHFFFAOYAD

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