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2-Amino-5-bromobenzoic acid

CAS No.
5794-88-7
Chemical Name:
2-Amino-5-bromobenzoic acid
Synonyms
5-BROMOANTHRANILIC ACID;5-BROMO-2-AMINOBENZOIC ACID;BUTTPARK 89\07-49;RARECHEM AL BO 1183;5-bromo-anthranilicaci;2-Amino-5-bromobenzoic;5-Bromoantharanilic Acid;2-amino-5-bromo-benzoicaci;Anthranilic acid, 5-bromo-;2-AMINO-5-BROMOBENZOIC ACID
CBNumber:
CB7154465
Molecular Formula:
C7H6BrNO2
Molecular Weight:
216.03
MDL Number:
MFCD00007823
MOL File:
5794-88-7.mol
MSDS File:
SDS
Last updated:2024-01-25 16:49:20

2-Amino-5-bromobenzoic acid Properties

Melting point 213-215 °C (lit.)
Boiling point 265.51°C (rough estimate)
Density 1.6841 (rough estimate)
refractive index 1.6120 (estimate)
storage temp. Keep in dark place,Inert atmosphere,Room temperature
solubility Soluble in methanol and dimethyl sulfoxide.
pka 4.55±0.10(Predicted)
form Powder
color Beige
Sensitive Light Sensitive
Merck 14,1405
BRN 639028
InChI InChI=1S/C7H6BrNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey CUKXRHLWPSBCTI-UHFFFAOYSA-N
SMILES C(O)(=O)C1=CC(Br)=CC=C1N
CAS DataBase Reference 5794-88-7(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII Q30190723F
NIST Chemistry Reference 2-Amino-5-bromobenzoic acid(5794-88-7)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS06
Signal word  Danger
Hazard statements  H301-H315-H319-H335
Precautionary statements  P261-P264-P270-P301+P310-P302+P352-P305+P351+P338
Hazard Codes  Xn
Risk Statements  22-36/37
Safety Statements  26-38-36/37
RIDADR  UN 2811 6.1/PG 3
WGK Germany  3
RTECS  CB2557670
Hazard Note  Harmful
PackingGroup  6.1/PG 3
HS Code  29224999
NFPA 704
1
2 0

2-Amino-5-bromobenzoic acid price More Price(47)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich 260118 2-Amino-5-bromobenzoic acid 97% 5794-88-7 5g $58.4 2024-03-01 Buy
Sigma-Aldrich 260118 2-Amino-5-bromobenzoic acid 97% 5794-88-7 25g $60 2024-03-01 Buy
TCI Chemical A1254 5-Bromoanthranilic Acid >98.0%(HPLC)(T) 5794-88-7 5g $28 2024-03-01 Buy
TCI Chemical A1254 5-Bromoanthranilic Acid >98.0%(HPLC)(T) 5794-88-7 25g $84 2024-03-01 Buy
Alfa Aesar A11915 2-Amino-5-bromobenzoic acid, 98% 5794-88-7 5g $48.65 2024-03-01 Buy
Product number Packaging Price Buy
260118 5g $58.4 Buy
260118 25g $60 Buy
A1254 5g $28 Buy
A1254 25g $84 Buy
A11915 5g $48.65 Buy

2-Amino-5-bromobenzoic acid Chemical Properties,Uses,Production

Synthesis

A solution of bromine (7.2 g, 2 mL, 40 mmol) in 47 mL glacial acetic acid was added dropwise to sodium 2-aminobenzoate (6.4 g, 40 mmol) in 32 mL of glacial acetic acid at 15 °С and the mixture was stirred for 1 h at the same temperature. The product was filtered off, washed with benzene and dried in the dark. The bromobenzoic acids containing mixture (0.5 g) was added to 10 mL of boiling water followed by the addition of 1.3 mL of concentrated hydrochloric acid and hot filtration under vacuum. The insoluble material contained 2-amino-3,5-dibromobenzoic acid, whereas 2- amino-5-bromobenzoic acid precipitated upon cooling of the filtrate. IR (suspension in nujol, cm−1 ): 3497, 3383,  1675, 1616, 1587, 1548, 1423, 1377, 1316, 1292, 1239, 1160, 1127, 812, 748, 691.

Chemical Properties

slight yellow to white powder

Physical properties

2-Amino-5-bromobenzoic acid has 17 atoms, meaning 45 vibrational modes in three main parts: Carboxyl group, amine group, and benzene. The molecule's most mechanically active parts are the carboxyl and amine groups. They exhibit rocking, swinging, and every kind of mechanical motion beside H immigrations between each other. For this reason, the molecule is not a simple carboxylic acid nor a primary amine[1].

Uses

It is used in the preparation of hepatitis C virus NS5b RNA polymerase inhibitors. Also used in the determination of cobalt, copper, nickel, and zinc.

Uses

2-Amino-5-bromobenzoic acid is a brominated derivative of Antharilinic Acid (A679222). 2-Amino-5-bromobenzoic acid displays plant growth-regulator activity. 2-Amino-5-bromobenzoic acid is used in the preparation of hepatitis C virus NS5b RNA polymerase inhibitors.

Preparation

2-Amino-5-bromobenzoic acid is synthesized from o-aminobenzoic acid by bromination.
Synthesis of 2-amino-5-bromobenzoic acid (4c, CAS: 5794-88-7) and 2-amino3,5-dibromobenzoic acid (4d, CAS: 609-85-8): A solution of bromine (7.2 g, 2 mL, 40 mmol) in 47 mL glacial acetic acid was added dropwise to sodium 2-aminobenzoate (6.4 g, 40 mmol) in 32 mL of glacial acetic acid at 15 °С and the mixture was stirred for 1 h at the same temperature. The product was filtered off, washed with benzene and dried in the dark. The bromobenzoic acids containing mixture (0.5 g) was added to 10 mL of boiling water followed by the addition of 1.3 mL of concentrated hydrochloric acid and hot filtration under vacuum. The insoluble material contained 2-amino-3,5-dibromobenzoic acid, whereas 2- amino-5-bromobenzoic acid precipitated upon cooling of the filtrate.
2-Amino-5-bromobenzoic acid (4c) IR (suspension in nujol, cm?1 ): 3497, 3383, 1675, 1616, 1587, 1548, 1423, 1377, 1316, 1292, 1239, 1160, 1127, 812, 748, 691.

References

[1] Kunduracioglu, Ahmet . "Tautomeric Forms of 2–Amino–5–Bromobenzoic Acid: A DFT Study for Structural and Molecular Orbital Analysis." (2021).

87-48-9
5794-88-7
Synthesis of 2-Amino-5-bromobenzoic acid from 5-Bromoisatin
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View Lastest Price from 2-Amino-5-bromobenzoic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2-Amino-5-bromobenzoic acid pictures 2024-01-02 2-Amino-5-bromobenzoic acid
5794-88-7
US $200.00-1.00 / KG 1KG 99%, 99.5% Sublimated g-kg-tons, free sample is available Henan Fengda Chemical Co., Ltd
2-Amino-5-bromobenzoic acid pictures 2023-08-08 2-Amino-5-bromobenzoic acid
5794-88-7
US $0.00 / kg 1kg 99% 20ton Hebei Mojin Biotechnology Co., Ltd
2-Amino-5-bromobenzoic acid pictures 2023-01-31 2-Amino-5-bromobenzoic acid
5794-88-7
US $100.00 / kg 1kg 99 300tons Hebei Mojin Biotechnology Co., Ltd
2-amnio-5-bromo-benzoic acid 2-AMino-5-broMobenzoic acid, 97% 5GR 2-Amino-5-bromobenzoic acid,97% 2 - aMino - 5 - broMine benzoic acid 2-amino-5-bromo-benzoicaci 5-bromo-anthranilicaci Anthranilic acid, 5-bromo- Benzoic acid, 2-amino-5-bromo- RARECHEM AL BO 1183 BUTTPARK 89\07-49 2-AMINO-5-BROMOBENZOIC ACID 5-Bromoantharanilic Acid 2-Amino-5-bromobenzoic acid,98+% 2-Amino-5-bromobenzoic 5-Bromoanthranilic Acid > 2-Amino-5-bromobenzoic acid(For export only) 2-Amino-5-bromobenzoic acid USP/EP/BP 5-BROMOANTHRANILIC ACID 5-BROMO-2-AMINOBENZOIC ACID 5794-88-7 5784-88-7 C7H6NO2Br C7H6rNO2 H2NC6H3BrCO2H AMINE Peptide Synthesis Specialty Synthesis Unnatural Amino Acid Derivatives Aromatic Amino Acids Anilines, Amides & Amines Bromine Compounds Carboxylic Acids Phenyls & Phenyl-Het Four-membered heterocyclic compound,Others Benzoic acid series Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts Carboxylic Acids Phenyls & Phenyl-Het Benzoic acid Organic acids Acids & Esters FINE Chemical & INTERMEDIATES Amino Acids and Derivatives bc0001