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| CAS No.: | 51076-46-1 |
|---|---|
| Name: | 2-(4-Pyridyl)malondialdehyde |
| Article Data: | 5 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7NO2 |
| Molecular Weight: | 149.149 |
| 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; |
| Density: | 1.171 g/cm3 |
| Melting Point: | 320 °C |
| Boiling Point: | 269.3 °C at 760 mmHg |
| Flash Point: | 120.7 °C |
| Appearance: | Beige to brown powder |
| Hazard Symbols: |
 C, Xi
|
| Risk Codes: | 34 |
| Safety: | 45-36/37/39-25 |
| PSA: | 47.03000 |
| LogP: | 0.56300 |
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- Total:20 Page 1 of 1 1
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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