4,6-Dimethylnicotinic acid supplier

Name
4,6-DIMETHYLNICOTINIC ACID
EINECS
CAS No. 22047-86-5
Density 1.183g/cm³
Solubility
Melting Point 193-194℃
Formula C₈H₉NO₂
Boiling Point 310 °C at 760 mmHg
Molecular Weight 151.16
Flash Point 141.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Nicotinicacid, 4,6-dimethyl- (6CI,8CI);2,4-Dimethylpyridine-5-carboxylic acid;4,6-Dimethylnicotinic acid;
PSA 50.19000
LogP 1.39660

4,6-Dimethylnicotinic acid Specification

The 3-Pyridinecarboxylicacid, 4,6-dimethyl-, with CAS registry number 22047-86-5, belongs to the following product categories: (1)Carboxylicacid; (2)Pyridines. It has the systematic name of 4,6-dimethylpyridine-3-carboxylic acid. And the chemical formula of this chemical is C₈H₉NO₂.

Physical properties of 3-Pyridinecarboxylicacid, 4,6-dimethyl-: (1)ACD/LogP: 1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 39.19 Å²; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 40.92 cm³; (13)Molar Volume: 127.7 cm³; (14)Polarizability: 16.22×10^-24cm³; (15)Surface Tension: 49.5 dyne/cm; (16)Density: 1.183 g/cm³; (17)Flash Point: 141.3 °C; (18)Enthalpy of Vaporization: 58.16 kJ/mol; (19)Boiling Point: 310 °C at 760 mmHg; (20)Vapour Pressure: 0.000266 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cnc(cc1C)C
(2)InChI: InChI=1/C8H9NO2/c1-5-3-6(2)9-4-7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
(3)InChIKey: DNXREYUMWKSTJU-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H9NO2/c1-5-3-6(2)9-4-7(5)8(10)11/h3-4H,1-2H3,(H,10,11)
(5)Std. InChIKey: DNXREYUMWKSTJU-UHFFFAOYSA-N

Product Name

4,6-DIMETHYLNICOTINIC ACID

4,6-Dimethylnicotinic acid Specification

Related Products

Hot Products