2-Pyridinecarboxaldehyde,6-acetyl- supplier

Name
2-Pyridinecarboxaldehyde, 6-acetyl- (9CI)
EINECS
CAS No. 20857-21-0
Article Data4
CAS DataBase
Density 1.185 g/cm³
Solubility
Melting Point
Formula C₈H₇NO₂
Boiling Point 264.5 °C at 760 mmHg
Molecular Weight 149.149
Flash Point 117.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Picolinaldehyde,6-acetyl- (8CI);
PSA 47.03000
LogP 1.09670

2-Pyridinecarboxaldehyde,6-acetyl- Specification

The 2-Pyridinecarboxaldehyde,6-acetyl-, with the CAS registry number 20857-21-0, is also known as 2-Acetyl-6-formylpyridine. It belongs to the product categories of Aldehyde; Acetylgroup. This chemical's molecular formula is C₈H₇NO₂ and molecular weight is 149.14668. What's more, its systematic name is called 6-Acetylpyridine-2-carbaldehyde.

Physical properties about 2-Pyridinecarboxaldehyde,6-acetyl- are: (1) ACD/LogP: 0.86; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.86; (4) ACD/LogD (pH 7.4): 0.86; (5) ACD/BCF (pH 5.5): 2.66; (6) ACD/BCF (pH 7.4): 2.66; (7) ACD/KOC (pH 5.5): 70.05; (8) ACD/KOC (pH 7.4): 70.05; (9)#H bond acceptors: 3; (10) #H bond donors: 0; (11) #Freely Rotating Bonds: 2; (12) Polar Surface Area: 47.03 Å²; (13) Index of Refraction: 1.567; (14) Molar Refractivity: 41.12 cm³; (15) Molar Volume: 125.8 cm³; (16) Surface Tension: 48.2 dyne/cm; (17) Density: 1.185 g/cm³; (18) Flash Point: 117.7 °C; (19) Enthalpy of Vaporization: 50.24 kJ/mol; (20) Boiling Point: 264.5 °C at 760 mmHg; (21) Vapour Pressure: 0.00968 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C)c1cccc(C=O)n1
(2) InChI: InChI=1/C8H7NO2/c1-6(11)8-4-2-3-7(5-10)9-8/h2-5H,1H3
(3) InChIKey: VBDAIIKYGFAYGD-UHFFFAOYAU

Product Name

2-Pyridinecarboxaldehyde, 6-acetyl- (9CI)

2-Pyridinecarboxaldehyde,6-acetyl- Specification

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