CAS No.51227-28-2,4-METHYLNICOTINALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51227-28-2
Name:	4-METHYLNICOTINALDEHYDE
Article Data:	1

Formula:	C₇H₇NO
Molecular Weight:	121.139
Synonyms:	Nicotinaldehyde,4-methyl- (6CI);4-Methylnicotinaldehyde;4-Methylpyridine-3-carboxaldehyde;
Density:	1.095 g/cm³
Boiling Point:	233.338 °C at 760 mmHg
Flash Point:	100.596 °C
PSA:	29.96000
LogP:	1.20250

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Specification

The 3-Pyridinecarboxaldehyde,4-methyl-, with the CAS registry number 51227-28-2, has the systematic name of 4-methylpyridine-3 carbaldehyde. It belongs to the product categories of Aldehydes and Pyridines. And the molecular formula of the chemical is C₇H₇NO.

The characteristics of 3-Pyridinecarboxaldehyde,4-methyl- are as followings: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 49; (8)ACD/KOC (pH 7.4): 51; (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^-24cm³; (17)Surface Tension: 43.555 dyne/cm; (18)Density: 1.095 g/cm³; (19)Flash Point: 100.596 °C; (20)Enthalpy of Vaporization: 47.005 kJ/mol; (21)Boiling Point: 233.338 °C at 760 mmHg; (22)Vapour Pressure: 0.056 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1ccncc1C=O
(2)InChI: InChI=1/C7H7NO/c1-6-2-3-8-4-7(6)5-9/h2-5H,1H3
(3)InChIKey: BAOMSKHBIVYWKE-UHFFFAOYAT