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Propanedial, 2-(2-pyrazinyl)-

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Name

Propanedial, 2-(2-pyrazinyl)-

EINECS N/A
CAS No. 13481-00-0 Density 1.244 g/cm3
PSA 59.92000 LogP -0.04200
Solubility N/A Melting Point 202-207 °C
Formula C7H6N2O2 Boiling Point 264.3 °C at 760 mmHg
Molecular Weight 150.137 Flash Point 117.6 °C
Transport Information N/A Appearance N/A
Safety 45-36/37/39-25 Risk Codes 34
Molecular Structure Molecular Structure of 13481-00-0 (2-(2-PYRAZINYL)MALONDIALDEHYDE) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

Propanedial,pyrazinyl- (9CI);Pyrazinemalonaldehyde (8CI);

 

Propanedial, 2-(2-pyrazinyl)- Specification

This chemical is called Propanedial, 2-(2-pyrazinyl)-, and its systematic name is pyrazin-2-ylpropanedial. With the molecular formula of C7H6N2O2, its molecular weight is 150.13. The CAS registry number of this chemical is 13481-00-0.

Other characteristics of the Propanedial, 2-(2-pyrazinyl)- can be summarised as followings: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.04; (4)ACD/LogD (pH 7.4): -3.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 59.92 Å2; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 36.99 cm3; (15)Molar Volume: 120.5 cm3; (16)Polarizability: 14.66×10-24cm3; (17)Surface Tension: 54.9 dyne/cm; (18)Density: 1.244 g/cm3; (19)Flash Point: 117.6 °C; (20)Enthalpy of Vaporization: 50.22 kJ/mol; (21)Boiling Point: 264.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00976 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical causes burns. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=CC(c1nccnc1)C=O
2.InChI: InChI=1/C7H6N2O2/c10-4-6(5-11)7-3-8-1-2-9-7/h1-6H
3.InChIKey: JMZSRARKHGBIFL-UHFFFAOYAF

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