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CAS No.: | 870244-34-1 |
---|---|
Name: | 3,5-Dibromo-4-cyanopyridine, 97% |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C6H2Br2N2 |
Molecular Weight: | 261.903 |
Synonyms: | 3,5-Dibromoisonicotinonitrile; |
Density: | 2.19g/cm3 |
Melting Point: | 149-151°C |
Boiling Point: | 317.6 °C at 760 mmHg |
Flash Point: | 145.9 °C |
Hazard Symbols: | T |
Risk Codes: | 25-41-43 |
Safety: | 26-36/37/39-45 |
Transport Information: | UN3439 |
PSA: | 36.68000 |
LogP: | 2.47828 |
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The 4-Pyridinecarbonitrile,3,5-dibromo-, with CAS registry number 870244-34-1, has the systematic name of 3,5-dibromopyridine-4-carbonitrile. Besides this, it is also called 4-Cyano-3,5-dibromopyridine. And the chemical formula of this chemical is C6H2Br2N2.
Physical properties of 4-Pyridinecarbonitrile,3,5-dibromo-: (1)ACD/LogP: 2.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 36.68 Å2; (9)Index of Refraction: 1.67; (10)Molar Refractivity: 44.56 cm3; (11)Molar Volume: 119.1 cm3; (12)Polarizability: 17.66×10-24cm3; (13)Surface Tension: 75 dyne/cm; (14)Density: 2.19 g/cm3; (15)Flash Point: 145.9 °C; (16)Enthalpy of Vaporization: 55.91 kJ/mol; (17)Boiling Point: 317.6 °C at 760 mmHg; (18)Vapour Pressure: 0.00038 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(Br)cncc1Br
(2)InChI: InChI=1/C6H2Br2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
(3)InChIKey: FHVATNRRDOWTPX-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C6H2Br2N2/c7-5-2-10-3-6(8)4(5)1-9/h2-3H
(5)Std. InChIKey: FHVATNRRDOWTPX-UHFFFAOYSA-N