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| CAS No.: | 1122-72-1 |
|---|---|
| Name: | 6-Methyl-2-pyridinecarboxaldehyde |
| Molecular Structure: | |
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| Formula: | C7H7NO |
| Molecular Weight: | 121.139 |
| Synonyms: | Picolinaldehyde,6-methyl- (6CI,7CI,8CI);2-Formyl-6-methylpyridine;2-Methyl-6-pyridinecarboxaldehyde;6-Methyl-2-picolinaldehyde;6-Methyl-2-pyridinecarbaldehyde;6-Methyl-2-pyridinecarboxaldehyde;6-Methylpicolinaldehyde;6-Methylpyridine-2-aldehyde;6-Methylpyridine-2-carboxaldehyde;NSC 8954; |
| EINECS: | 214-359-8 |
| Density: | 1.095 g/cm3 |
| Melting Point: | 31 - 33 °C |
| Boiling Point: | 188.6 °C at 760 mmHg |
| Flash Point: | 68.3 °C |
| Solubility: | 750 g/L (20 °C) in water |
| Appearance: | light yellow to brown low melting solid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| Transport Information: | UN 1325 |
| PSA: | 29.96000 |
| LogP: | 1.20250 |
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Specification
The 2-Pyridinecarboxaldehyde, 6-methyl-, with the CAS registry number 1122-72-1, is also known as 2-Formyl-6-methylpyridine. It belongs to the product categories of Pyridine; Pyridines; Boronic Acid. Its EINECS registry number is 214-359-8. This chemical's molecular formula is C7H7NO and molecular weight is 121.14. Its IUPAC name is called 6-methylpyridine-2-carbaldehyde. The product should be sealed and stored in cool and dry place. What's more, it should be protected from strong oxides.
Physical properties of 2-Pyridinecarboxaldehyde, 6-methyl-: (1)ACD/LogP: 0.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.85; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 2.54; (6)ACD/BCF (pH 7.4): 2.83; (7)ACD/KOC (pH 5.5): 65.76; (8)ACD/KOC (pH 7.4): 73.25; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.563; (12)Molar Refractivity: 35.92 cm3; (13)Molar Volume: 110.5 cm3; (14)Surface Tension: 43.5 dyne/cm; (15)Density: 1.095 g/cm3; (16)Flash Point: 68.3 °C; (17)Enthalpy of Vaporization: 42.48 kJ/mol; (18)Boiling Point: 188.6 °C at 760 mmHg; (19)Vapour Pressure: 0.593 mmHg at 25°C.
Uses of 2-Pyridinecarboxaldehyde, 6-methyl-: it can be used to produce 1-(6-methyl-pyridin-2-yl)-hexan-1-one with pent-1-ene at temperature of 100 °C. This reaction will need reagent 2-amino-3-picoline and catalysts (Ph3P)3RhCl, Cp2ZrCl2 with reaction time of 40 hours. The yield is about 75%.
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, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC=CC(=N1)C=O
(2)InChI: InChI=1S/C7H7NO/c1-6-3-2-4-7(5-9)8-6/h2-5H,1H3
(3)InChIKey: AHISYUZBWDSPQL-UHFFFAOYSA-N