Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Methylpyridine-3-carboxaldehyde |
EINECS | N/A |
CAS No. | 100910-66-5 | Density | 1.095 g/cm3 |
PSA | 29.96000 | LogP | 1.20250 |
Solubility | N/A | Melting Point |
37 °C |
Formula | C7H7NO | Boiling Point | 228.933 °C at 760 mmHg |
Molecular Weight | 121.139 | Flash Point | 97.693 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | 22 | |
Molecular Structure | Hazard Symbols | Xn | |
Synonyms |
5-Methyl-3-pyridinecarboxaldehyde;Nicotinaldehyde,5-methyl- (6CI); |
Article Data | 10 |
The 5-Methylpyridine-3-carboxaldehyde with CAS registry number of 100910-66-5 is also known as 3-Pyridinecarboxaldehyde,5-methyl-. The systematic name and product name are the same. It belongs to product categories of Pyridine; Pyridines. In addition, the formula is C7H7NO and the molecular weight is 121.14.
Physical properties about 5-Methylpyridine-3-carboxaldehyde are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 50; (7)ACD/KOC (pH 7.4): 51; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.563; (11)Molar Refractivity: 35.922 cm3; (12)Molar Volume: 110.598 cm3; (13)Surface Tension: 43.555 dyne/cm; (14)Density: 1.095 g/cm3; (15)Flash Point: 97.693 °C; (16)Enthalpy of Vaporization: 46.553 kJ/mol; (17)Boiling Point: 228.933 °C at 760 mmHg; (18)Vapour Pressure: 0.071 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES: O=Cc1cncc(C)c1
2. InChI: InChI=1/C7H7NO/c1-6-2-7(5-9)4-8-3-6/h2-5H,1H3
3. InChIKey: BCSGDXYJDSJMFA-UHFFFAOYAW
4. Std. InChI: InChI=1S/C7H7NO/c1-6-2-7(5-9)4-8-3-6/h2-5H,1H3
5. Std. InChIKey: BCSGDXYJDSJMFA-UHFFFAOYSA-N