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2-(4-Pyridyl)malondialdehyde

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Name

2-(4-Pyridyl)malondialdehyde

EINECS N/A
CAS No. 51076-46-1 Density 1.171 g/cm3
PSA 47.03000 LogP 0.56300
Solubility N/A Melting Point 320 °C
Formula C8H7NO2 Boiling Point 269.3 °C at 760 mmHg
Molecular Weight 149.149 Flash Point 120.7 °C
Transport Information N/A Appearance Beige to brown powder
Safety 45-36/37/39-25 Risk Codes 34
Molecular Structure Molecular Structure of 51076-46-1 (2-(4-Pyridyl)malondialdehyde) Hazard Symbols CorrosiveC,IrritantXi
Synonyms

4-Pyridinemalonaldehyde(7CI);Propanedial, 4-pyridinyl- (9CI);2-(4-Pyridyl)malonaldehyde;2-(4-Pyridyl)propane-1,3-dione;2-(Pyridine-4-yl)malonaldehyde;2-(Pyridyl-4-yl)malonaldehyde;4-Pyridylmalonaldehyde;2-(4-Pyridyl)malondialdehyde;

Article Data 5

2-(4-Pyridyl)malondialdehyde Specification

The CAS register number of Propanedial,2-(4-pyridinyl)- is 51076-46-1. It also can be called as 2-(4-Pyridyl)propane-1,3-dione and the IUPAC name about this chemical is 2-pyridin-4-ylpropanedial. The molecular formula about this chemical is C8H7NO2 and the molecular weight is 149.15.

Physical properties about Propanedial,2-(4-pyridinyl)- are: (1)ACD/LogP: 0.41; (2)ACD/LogD (pH 5.5): -2.09; (3)ACD/LogD (pH 7.4): -2.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 47.03 Å2; (11)Index of Refraction: 1.522; (12)Molar Refractivity: 38.9 cm3; (13)Molar Volume: 127.3 cm3; (14)Polarizability: 15.42x10-24cm3; (15)Surface Tension: 47.4 dyne/cm; (16)Density: 1.171 g/cm3; (17)Flash Point: 120.7 °C; (18)Enthalpy of Vaporization: 50.74 kJ/mol; (19)Boiling Point: 269.3 °C at 760 mmHg; (20)Vapour Pressure: 0.00731 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
This chemical can cause burns. If you want to use it, wear suitable protective clothing, gloves and eye/face protection. When you are using it, avoid contact with eyes. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)  If you want to store it, keep the container tightly closed in dry and cool places. If you store and use this chemical according the rule, it will not be decomposed.

You can still convert the following datas into molecular structure:
(1)SMILES: O=CC(c1ccncc1)C=O
(2)InChI: InChI=1/C8H7NO2/c10-5-8(6-11)7-1-3-9-4-2-7/h1-6,8H
(3)InChIKey: RYYVVCNGQOENKM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7NO2/c10-5-8(6-11)7-1-3-9-4-2-7/h1-6,8H
(5)Std. InChIKey: RYYVVCNGQOENKM-UHFFFAOYSA-N

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