Name: pyrazine-2,5-dicarbaldehyde
SKU: 77666-94-5

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Basic Information

Molecular Structure:
CAS No.:	77666-94-5
Name:	pyrazine-2,5-dicarbaldehyde
Article Data:	12

Formula:	C₆H₄N₂O₂
Molecular Weight:	136.11
Synonyms:	Pyrazine-2,5-dicarbaldehyde;
Density:	1.372 g/cm³
Melting Point:	124-125 °C(Solv: chloroform (67-66-3); isopropyl ether (108-20-3))
Boiling Point:	273.833 °C at 760 mmHg
Flash Point:	123.552 °C
PSA:	59.92000
LogP:	0.10160

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Specification

The 2,5-Pyrazinedicarboxaldehyde has the CAS registry number 77666-94-5. This chemical's molecular formula is C₆H₄N₂O₂ and molecular weight is 136.11. What's more, its systematic name is pyrazine-2,5-dicarbaldehyde.

Physical properties of 2,5-Pyrazinedicarboxaldehyde are: (1)ACD/LogP: -0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 14; (6)ACD/KOC (pH 7.4): 14; (7)#H bond acceptors: 4; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 59.92 Å²; (11)Index of Refraction: 1.644; (12)Molar Refractivity: 35.941 cm³; (13)Molar Volume: 99.213 cm³; (14)Polarizability: 14.248×10^-24cm³; (15)Surface Tension: 68.751 dyne/cm; (16)Density: 1.372 g/cm³; (17)Flash Point: 123.552 °C; (18)Enthalpy of Vaporization: 51.22 kJ/mol; (19)Boiling Point: 273.833 °C at 760 mmHg; (20)Vapour Pressure: 0.006 mmHg at 25°C.

Preparation of 2,5-Pyrazinedicarboxaldehyde: this chemical can be prepared by 2,5-dimethyl-pyrazine. This reaction will need reagent air and solvent H₂O with the reaction time of 0.1s. This reaction will also need catalyst V₂O₅/MoO₃. The yield is about 21%.

2,5-Pyrazinedicarboxaldehyde can be prepared by 2,5-dimethyl-pyrazine. This reaction will need reagent air and solvent H2O with the reaction time of 0.1s

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cnc(C=O)cn1
(2)InChI: InChI=1S/C6H4N2O2/c9-3-5-1-7-6(4-10)2-8-5/h1-4H
(3)InChIKey: HTGODBGFEKUXOL-UHFFFAOYSA-N