4,6-Dimethylnicotinic Acid
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Product Description
Product
4,6-Dimethylnicotinic Acid
CAS
22047-86-5
Formula
C8H9NO2
Synonym
IFLAB-BB F1371-0186; AKOS BBS-00001385; 4,6-DIMETHYLPYRIDINE-3-CARBOXYLIC ACID; 4,6-DIMETHYLNICOTINIC ACID; 3-Pyridinecarboxylicacid,4,6-dimethyl-(9CI); 4,6-dimethylnicotinic acid(SALTDATA: 1.2HCl 0.15H2O 0.1NaCl); 4,6-Dimethylnicotinic acid hydrochloride
Typical Product Specifications
Molecular weight
151.16
Molecular weight
198.13
EINECS
208-601-1
SMILES
c1(cc(cc(c1O)C)[N+](=O)[O-])[N+](=O)[O-]
InChI
1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
InChIKey
ZXVONLUNISGICL-UHFFFAOYSA-N
Henry's Law Constant
1.40E-06 atm-m3/mole
Vapor Pressure
1.06E-04 mm Hg
Boiling Point
378 ° C
Melting Point
86.6 ° C
Water solubility
198 mg/L
Atmospheric OH Rate Constant
3.03E-13 cm3/molecule-sec
pKa Dissociation Constant
4.31
log P (octanol-water)
2.12
Storage Temperature
0-6°C
Flash Point
11 °C
Boiling Point
196°C 1012mm
Melting Point
83-85 °C
Water solubility
slightly soluble
Merck
3279
Class
Functions
4,6-Dimethylnicotinic Acid
Product Description
Product
4,6-Dimethylnicotinic Acid
CAS
22047-86-5
Formula
C8H9NO2
Synonym
IFLAB-BB F1371-0186; AKOS BBS-00001385; 4,6-DIMETHYLPYRIDINE-3-CARBOXYLIC ACID; 4,6-DIMETHYLNICOTINIC ACID; 3-Pyridinecarboxylicacid,4,6-dimethyl-(9CI); 4,6-dimethylnicotinic acid(SALTDATA: 1.2HCl 0.15H2O 0.1NaCl); 4,6-Dimethylnicotinic acid hydrochloride
Typical Product Specifications
Molecular weight
151.16
Molecular weight
198.13
EINECS
208-601-1
SMILES
c1(cc(cc(c1O)C)[N+](=O)[O-])[N+](=O)[O-]
InChI
1S/C7H6N2O5/c1-4-2-5(8(11)12)3-6(7(4)10)9(13)14/h2-3,10H,1H3
InChIKey
ZXVONLUNISGICL-UHFFFAOYSA-N
Henry's Law Constant
1.40E-06 atm-m3/mole
Vapor Pressure
1.06E-04 mm Hg
Boiling Point
378 ° C
Melting Point
86.6 ° C
Water solubility
198 mg/L
Atmospheric OH Rate Constant
3.03E-13 cm3/molecule-sec
pKa Dissociation Constant
4.31
log P (octanol-water)
2.12
Storage Temperature
0-6°C
Flash Point
11 °C
Boiling Point
196°C 1012mm
Melting Point
83-85 °C
Water solubility
slightly soluble
Merck
3279
Class
Functions
