5-Methyl-2-pyrazinecarboxaldehyde supplier

Name
5-methylpyrazine-2-carbaldehyde
EINECS
CAS No. 50866-30-3
Article Data13
CAS DataBase
Density 1.176 g/cm³
Solubility
Melting Point 10-15 °C
Formula C₆H₆N₂O
Boiling Point 204.3 °C at 760 mmHg
Molecular Weight 122.126
Flash Point 78.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazinecarboxaldehyde,5-methyl- (9CI);5-Methylpyrazin-2-carboxaldehyde;5-methylpyrazine-2-carbaldehyde;
PSA 42.85000
LogP 0.59750

5-Methyl-2-pyrazinecarboxaldehyde Specification

The 2-Pyrazinecarboxaldehyde,5-methyl-, with the CAS registry number 50866-30-3, has the systematic name and IUPAC name of 5-methylpyrazine-2-carbaldehyde. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₆N₂O.

The characteristics of 2-Pyrazinecarboxaldehyde,5-methyl- are as followings: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 20.82; (5)ACD/KOC (pH 7.4): 20.82; (6)#H bond acceptors: 3; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 42.85 Å²; (10)Index of Refraction: 1.568; (11)Molar Refractivity: 34.01 cm³; (12)Molar Volume: 103.8 cm³; (13)Polarizability: 13.48×10^-24cm³; (14)Surface Tension: 51.6 dyne/cm; (15)Density: 1.176 g/cm³; (16)Flash Point: 78.7 °C; (17)Enthalpy of Vaporization: 44.05 kJ/mol; (18)Boiling Point: 204.3 °C at 760 mmHg; (19)Vapour Pressure: 0.265 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1cnc(C)cn1
(2)InChI: InChI=1/C6H6N2O/c1-5-2-8-6(4-9)3-7-5/h2-4H,1H3
(3)InChIKey: JUPFEWGPEBACJP-UHFFFAOYAE

Product Name

5-methylpyrazine-2-carbaldehyde

5-Methyl-2-pyrazinecarboxaldehyde Specification

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