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| CAS No.: | 99970-84-0 |
|---|---|
| Name: | 2 2'-BIPYRIDINE-4 4'-DICARBOXALDEHYDE |
| Molecular Structure: | |
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| Formula: | C12H8N2O2 |
| Molecular Weight: | 212.208 |
| Synonyms: | [2,2'-Bipyridine]-4,4'-dicarboxaldehyde; |
| Density: | 1.29 g/cm3 |
| Melting Point: | 188 °C (dec.)(lit.) |
| Boiling Point: | 434.4 °C at 760 mmHg |
| Flash Point: | 217.3 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 59.92000 |
| LogP: | 1.76860 |
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Specification
The 2,2'-Bipyridine-4,4'-Dicarboxaldehyde, with the CAS registry number 99970-84-0, is also known as [2,2'-Bipyridine]-4,4'-dicarboxaldehyde. It belongs to the product categories of Heterocyclic Compounds; Pyridine; C9 to C46; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C12H8N2O2 and molecular weight is 212.2. Its IUPAC name is called 2-(4-formylpyridin-2-yl)pyridine-4-carbaldehyde.
Physical properties of 2,2'-Bipyridine-4,4'-Dicarboxaldehyde: (1)ACD/LogP: 1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 1.25; (5)ACD/BCF (pH 5.5): 5.27; (6)ACD/BCF (pH 7.4): 5.27; (7)ACD/KOC (pH 5.5): 114.29; (8)ACD/KOC (pH 7.4): 114.33; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.657; (13)Molar Refractivity: 60.53 cm3; (14)Molar Volume: 164.4 cm3; (15)Surface Tension: 60.6 dyne/cm; (16)Density: 1.289 g/cm3; (17)Flash Point: 217.3 °C; (18)Enthalpy of Vaporization: 69.05 kJ/mol; (19)Boiling Point: 434.4 °C at 760 mmHg; (20)Vapour Pressure: 9.5E-08 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CN=C(C=C1C=O)C2=NC=CC(=C2)C=O
(2)InChI: InChI=1S/C12H8N2O2/c15-7-9-1-3-13-11(5-9)12-6-10(8-16)2-4-14-12/h1-8H
(3)InChIKey: UJCACAOPZBJKIW-UHFFFAOYSA-N