Basic information
- Name:
3-Pyridinecarboxaldehyde,6-methyl-
- Superlist Name:
- 5-Formyl-2-methylpyridine
- CAS No.:
53014-84-9
- Molecular Structure:
- Formula:
- C7H7NO
- Molecular Weight:
- 121.14
- Synonyms:
- Nicotinaldehyde,6-methyl- (6CI,7CI);2-Methyl-5-pyridinecarboxaldehyde;6-Methyl-3-pyridinecarbaldehyde;6-Methyl-3-pyridinecarboxaldehyde;6-Methylnicotinaldehyde;6-Methylpyridyl-3-carboxaldehyde;3-Formyl-6-methylpyridine;
- Density:
- 1.095 g/cm3
- Boiling Point:
- 213.704 °C at 760 mmHg
- Flash Point:
- 87.556 °C
- Hazard Symbols:
Xn- Risk Codes:
- 22-36
- Safety Description:
- 26 Details
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Specification
The 3-Pyridinecarboxaldehyde,6-methyl-, with the CAS registry number 53014-84-9, is also known as 3-Formyl-6-methyl-pyridine. It belongs to the product categories of Pyridine; Pyridines; Building Blocks. This chemical's molecular formula is C7H7NO and molecular weight is 121.14. What's more, its systematic name is 6-Methylpyridine-3-carbaldehyde.
Physical properties of 3-Pyridinecarboxaldehyde,6-methyl- are: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31; (8)ACD/KOC (pH 7.4): 33; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å2; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 35.922 cm3; (15)Molar Volume: 110.598 cm3; (16)Polarizability: 14.241×10-24 cm3; (17)Surface Tension: 43.555 dyne/cm; (18)Density: 1.095 g/cm3; (19)Flash Point: 87.556 °C; (20)Enthalpy of Vaporization: 45.003 kJ/mol; (21)Boiling Point: 213.704 °C at 760 mmHg; (22)Vapour Pressure: 0.162 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=NC=C(C=C1)C=O
(2)InChI: InChI=1S/C7H7NO/c1-6-2-3-7(5-9)4-8-6/h2-5H,1H3
(3)InChIKey: IMWMEIWYPWVABQ-UHFFFAOYSA-N
