CAS No.58819-72-0,2 6-DIMETHOXYPYRIDINE-3-CARBOXALDEHYDE& Suppliers

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Basic Information

Molecular Structure:
CAS No.:	58819-72-0
Name:	2 6-DIMETHOXYPYRIDINE-3-CARBOXALDEHYDE&
Article Data:	2

Formula:	C₈H₉NO₃
Molecular Weight:	167.164
Synonyms:	2,6-Dimethoxy-3-formylpyridine;2,6-Dimethoxynicotinaldehyde;2,6-Dimethoxypyridine-3-carboxaldehyde;
Density:	1.174 g/cm³
Melting Point:	68-72 °C
Boiling Point:	277.3 °C at 760 mmHg
Flash Point:	121.5 °C
Hazard Symbols:	Xi,Xn
Risk Codes:	22-41-43
Safety:	26-36/37/39
PSA:	48.42000
LogP:	0.91130

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Specification

This chemical is called 3-Pyridinecarboxaldehyde, 2,6-dimethoxy-, and its systematic name is 2,6-Dimethoxypyridine-3-carbaldehyde. With the molecular formula of C₈H₉NO₃, its molecular weight is 167.16. The CAS registry number of this chemical is 58819-72-0. Additionally, its product categories are Pyridine; Heterocyclic Compounds; Aldehyde; Building Blocks; C7 and C8; Heterocyclic Building Blocks; Pyridines.

Other characteristics of the 3-Pyridinecarboxaldehyde, 2,6-dimethoxy- can be summarised as followings: (1)ACD/LogP: 1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.53; (4)ACD/LogD (pH 7.4): 1.53; (5)ACD/BCF (pH 5.5): 8.53; (6)ACD/BCF (pH 7.4): 8.53; (7)ACD/KOC (pH 5.5): 161.48; (8)ACD/KOC (pH 7.4): 161.48; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 48.42 Å²; (13)Index of Refraction: 1.537; (14)Molar Refractivity: 44.45 cm³; (15)Molar Volume: 142.3 cm³; (16)Polarizability: 17.62×10^-24cm³; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.174 g/cm³; (19)Flash Point: 121.5 °C; (20)Enthalpy of Vaporization: 51.58 kJ/mol; (21)Boiling Point: 277.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00457 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is harmful if swallowed. It has risk of serious damage to the eyes and may cause sensitization by skin contacting. You should wear suitable protective clothing when you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: COc1nc(ccc1C=O)OC
2.InChI: InChI=1/C8H9NO3/c1-11-7-4-3-6(5-10)8(9-7)12-2/h3-5H,1-2H3
3.InChIKey: UWHJWEBMUYYQKM-UHFFFAOYAU