5-Bromonicotinic acid

5-Bromonicotinic acid Basic information
Product Name:5-Bromonicotinic acid
Synonyms:RARECHEM AL BO 0841;TIMTEC-BB SBB003524;AKOS BBS-00007710;3-PYRIDINECARBOXYLIC ACID, 5-BROMO-;3-BROMO-5-PYRIDINE CARBOXYLIC ACID;3-BROMO PYRIDINE-5-CARBOXYLIC ACID;5-BROMO-3-PYRIDINECARBOXYLIC ACID;5-BROMONICOTINC ACID
CAS:20826-04-4
MF:C6H4BrNO2
MW:202.01
EINECS:244-065-5
Product Categories:Pyridines, Pyrimidines, Purines and Pteredines;pharmacetical;Heterocycles;Bromopyridines;Halopyridines;alkyl bromide|carboxylic acid;blocks;Bromides;Pyridine series;Carboxylic Acids;Organic acids;Pyridines derivates;PROTECTED AMINO ACID & PEPTIDES;Carboxylic Acids;Carboxes;Pyridines;Pyridine;pyridine derivative;Acids and Derivatives;bc0001
Mol File:20826-04-4.mol
5-Bromonicotinic acid Structure
5-Bromonicotinic acid Chemical Properties
Melting point 178-180 °C(lit.)
Boiling point 259.67°C (rough estimate)
density 1.7477 (rough estimate)
vapor pressure 0.01Pa at 25℃
refractive index 1.6120 (estimate)
storage temp. 2-8°C
solubility DMSO (Slightly), Methanol (Slightly)
form Powder
pka3.08±0.10(Predicted)
color White to yellow-gray or light brown
BRN 115854
InChIKeyFQIUCPGDKPXSLL-UHFFFAOYSA-N
LogP1.17-1.29 at 23.5℃ and pH6.4
CAS DataBase Reference20826-04-4(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-24/25
WGK Germany 3
RTECS QT0868000
HazardClass IRRITANT
HS Code 29333999
MSDS Information
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5-Bromonicotinic acid Usage And Synthesis
Chemical PropertiesLight yellow Cryst
Uses5-Bromopyridine-3-carboxylic acid (5-bromonicotinic acid) was used in the synthesis of 3-guanidinomethyl-5-iodopyridine.
Synthesis Reference(s)Journal of the American Chemical Society, 70, p. 2381, 1948 DOI: 10.1021/ja01187a020
Purification MethodsThe acid is recrystallised from H2O and then from EtOH using charcoal. The amide has m 219-219.5o (from aqueous EtOH), and the methyl ester, prepared by addition of ethereal diazomethane, can be purified by sublimation in a vacuum and has m 98-99o. The acid chloride also can be sublimed in vacuo and has m 74-75o and gives the methyl ester in MeOH. [Graf J Prakt Chem 138 244 1933, Bachman & Micucci J Am Chem Soc 70 2381 1948, Garcia et al. J Am Chem Soc 82 4430 1960, Misic-Vokovic et al. J Chem Soc 34 1978, Beilstein 22/2 V 181.]
5-Bromonicotinic acid ethyl ester 97%,Ethyl 5-Bromonicotinic acid ethyl ester,5-BROMONICOTINIC ACID ETHYL ESTER Isonicotinic acid AURORA 15975 Xanthinol nicotinate Methyl 5-bromo-6-chloropyridine-3-carboxylate Ascoric Acid 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazolin-2-yl)nicotinic acid 5-Bromonicotinic acid AURORA 16125 AURORA 16071 Folic acid AURORA 15936 AURORA 16036 Bromine AURORA 15935 EPA 5-BROMONICOTINIC ACID 10-METHOXY-1,6-DIMETHYLERGOLINE-8-METHYL ESTER,5-BROMONICOTINIC ACID 10-METHOXY-1,6-DIMETHYLERGOLINE-8-METHANOL ESTER Citric acid

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