ChemicalBook > CAS DataBase List > 5-Bromonicotinic acid

5-Bromonicotinic acid

Product Name
5-Bromonicotinic acid
CAS No.
20826-04-4
Chemical Name
5-Bromonicotinic acid
Synonyms
5-BROMOPYRIDINE-3-CARBOXYLIC ACID;Nicergoline impurity D CRS;5-BROMO-3-PYRIDINECARBOXYLIC ACID;DF97;AURORA KA-3027;CAS:20826-04-4;AKOS BBS-00007710;5 - broMine niacin;TIMTEC-BB SBB003524;RARECHEM AL BO 0841
CBNumber
CB3375701
Molecular Formula
C6H4BrNO2
Formula Weight
202.01
MOL File
20826-04-4.mol
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5-Bromonicotinic acid Property

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
pka
3.08±0.10(Predicted)
color 
White to yellow-gray or light brown
BRN 
115854
InChI
InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
InChIKey
FQIUCPGDKPXSLL-UHFFFAOYSA-N
SMILES
C1=NC=C(Br)C=C1C(O)=O
LogP
1.17-1.29 at 23.5℃ and pH6.4
CAS DataBase Reference
20826-04-4(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36-24/25
WGK Germany 
3
RTECS 
QT0868000
HazardClass 
IRRITANT
HS Code 
29333999
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
228435
Product name
5-Bromopyridine-3-carboxylic acid
Purity
98%
Packaging
10g
Price
$40.68
Updated
2024/03/01
Sigma-Aldrich
Product number
228435
Product name
5-Bromopyridine-3-carboxylic acid
Purity
98%
Packaging
50g
Price
$59.6
Updated
2024/03/01
TCI Chemical
Product number
B1818
Product name
5-Bromonicotinic Acid
Purity
>99.0%(GC)(T)
Packaging
25g
Price
$59
Updated
2024/03/01
Alfa Aesar
Product number
A13589
Product name
5-Bromonicotinic acid, 98%
Packaging
25g
Price
$72.7
Updated
2021/12/16
Alfa Aesar
Product number
A13589
Product name
5-Bromonicotinic acid, 98%
Packaging
5g
Price
$26.1
Updated
2021/12/16
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5-Bromonicotinic acid Chemical Properties,Usage,Production

Chemical Properties

Light yellow Cryst

Uses

5-Bromopyridine-3-carboxylic acid (5-bromonicotinic acid) was used in the synthesis of 3-guanidinomethyl-5-iodopyridine.

Reactions

5-Bromonicotinic acid could used as starting material to synthesize 3-guanidinomethyl-5-iodopyridine. It is also used to prepare four novel multifunctional coordination compounds with different lanthanide(III) ions (Dy, Tb, Yb, and Nd). These materials possess different structures and dimensionalities and show interesting magnetic and luminescence properties, as well as a complete absence of cytotoxicity both in cancer and non-cancer Caco-2 cells[1-2].

Synthesis Reference(s)

Journal of the American Chemical Society, 70, p. 2381, 1948 DOI: 10.1021/ja01187a020

Purification Methods

The 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.]

References

[1] Vaidyanathan G, et al. Iodopyridine-for-iodobenzene substitution for use with low molecular weight radiopharmaceuticals: application to m-iodobenzylguanidine. Bioconjugate Chemistry, 1998; 9: 758–764.
[2] Ruiz C, et al. Multifunctional coordination compounds based on lanthanide ions and 5-bromonicotinic acid: magnetic, luminescence and anti-cancer properties. CrystEngComm, 2019; 21: 3881-3890.

5-Bromonicotinic acid Preparation Products And Raw materials

Raw materials

Preparation Products

5-Aminonicotinic acid 5-AMINO-NICOTINIC ACID METHYL ESTER 5-Fluoronicotinic acid
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5-Bromonicotinic acid Suppliers

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View Lastest Price from 5-Bromonicotinic acid manufacturers

Ouhuang Engineering Materials (Hubei) Co., Ltd
Product
5-Bromonicotinic acid 20826-04-4
Price
US $5.00/kg
Min. Order
1kg
Purity
99.92%
Supply Ability
50000tons
Release date
2024-04-26
PNP Biotech Co. Ltd
Product
5-Bromonicotinic acid 20826-04-4
Price
US $0.00/kg
Min. Order
25kg
Purity
98%
Supply Ability
Inquiry
Release date
2023-07-12
Hebei Guanlang Biotechnology Co,.LTD
Product
5-Bromonicotinic acid 20826-04-4
Price
US $5.00-2.00/KG
Min. Order
1KG
Purity
99%
Supply Ability
10000kg
Release date
2023-05-11

20826-04-4, 5-Bromonicotinic acidRelated Search:

Citric acid Folic acid Isonicotinic acid EPA 5-Bromonicotinic acid ethyl ester 97%,Ethyl 5-Bromonicotinic acid ethyl ester,5-BROMONICOTINIC ACID ETHYL ESTER 5-Ethyl-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazolin-2-yl)nicotinic acid Xanthinol nicotinate N,N-Dimethylpropionamide 2,2-Dimethylbutyryl chloride 2-Phenylbutyric acid 5-Bromophthalide 5-Bromoindole 5-Bromopyrimidine 5-Bromo-2-oxindole DIMETHYL 5-BROMOISOPHTHALATE Ascoric Acid Bromine 2-AMINO-5-BROMONICOTINIC ACID,2-Amino-5-bromonicotinic acid 95%,2-Amino-5-bromonicotinic acid ,97%

  • RARECHEM AL BO 0841
  • TIMTEC-BB SBB003524
  • AKOS BBS-00007710
  • 3-PYRIDINECARBOXYLIC ACID, 5-BROMO-
  • 3-BROMO-5-PYRIDINE CARBOXYLIC ACID
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  • AURORA KA-3027
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  • 5-Bromo-3-pyridinecarboxylic
  • 5-Bromonicotic acid
  • 5-BROMOPYRIDINE-3-CARBOXYLIC ACID / 5-BROMONICOTINIC ACID
  • 5-Bromonicotinic acid, 5-Bromopyridine-3-carboxylic acid
  • 3-Carboxy-5-bromopyridine
  • 5-BROMO NICOTINIC ACID 5-BROMO NICOTINIC ACID
  • Nicotinic acid, 5-bromo-
  • 5- broMinenicotinic acid
  • 5 - broMine niacin
  • Nicergoline impurity D
  • 5-Bromopyridine-3-carboxylic acid, 3-Bromo-5-carboxypyridine
  • 5-Bromopyridine-3-carboxylic acid 98%
  • CAS:20826-04-4
  • Nicergoline Impurity 4(Nicergoline EP Impurity D)
  • 5-Bromonicotinic Acid &gt
  • Nicergoline impurity D CRS
  • Nicergoline EP Impurity D (5-Bromonicotinic acid)
  • Nicergoline Impurity 4
  • 5-Bromonicotinic acid USP/EP/BP
  • DF97
  • 5-Bromopyridin-3-carboxylic acid
  • 20826-04-4
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