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4,6-Dimethylnicotinic Acid

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Product Description

PRODUCT

4,6-Dimethylnicotinic Acid

CAS #

22047-86-5

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

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FORMULA

C8H9NO2

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

FUNCTIONS

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