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20776-48-1

20776-48-1 Structure

20776-48-1 Structure
IdentificationBack Directory
[Name]

2-Amino-6-bromobenzoic acid
[CAS]

20776-48-1
[Synonyms]

20776-48-1
2-AMino-6-broMobenzoic
6-BroMoanthranilic Acid
2-Nitro-5-broMobenzoic acid
2-Amino-6-bromobenzoic acid
Benzoic acid, 2-amino-6-bromo-
2-Amino-6-bromobenzoic acid 97%
BP11632-amino-6-bromobenzoicacid
2-AMINO-6-BROMOBENZOIC ACID(RS20012390)
3-Bromo-2-carboxyaniline, 6-Bromoanthranilic acid
[EINECS(EC#)]

630-293-6
[Molecular Formula]

C7H6BrNO2
[MDL Number]

MFCD03618455
[MOL File]

20776-48-1.mol
[Molecular Weight]

216.03
Chemical PropertiesBack Directory
[Melting point ]

136 °C
[Boiling point ]

348.9±32.0 °C(Predicted)
[density ]

1.793±0.06 g/cm3(Predicted)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

powder
[pka]

0.85±0.10(Predicted)
[color ]

Light brown to beige
[Sensitive ]

Light Sensitive
[InChI]

InChI=1S/C7H6BrNO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H,10,11)
[InChIKey]

BNQPROAXWQCNKO-UHFFFAOYSA-N
[SMILES]

C(O)(=O)C1=C(Br)C=CC=C1N
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[HazardClass ]

IRRITANT
[HS Code ]

2916399090
Spectrum DetailBack Directory
[Spectrum Detail]

2-Amino-6-bromobenzoic acid(20776-48-1)1HNMR
2-Amino-6-bromobenzoic acid(20776-48-1)FT-IR
Hazard InformationBack Directory
[Synthesis]

4-BROMOISATIN

20780-72-7

2-Amino-6-bromobenzoic acid

20776-48-1

General procedure for the synthesis of 2-amino-6-bromobenzoic acid from 4-bromoindoline-2,3-dione: Commercially available 4-bromoindigo (2.50 g, 11.1 mmol) was dissolved in 1.5 mol/L aqueous sodium hydroxide solution (20 mL), and 33% aqueous hydrogen peroxide solution (1 mL) was added slowly and dropwise at 55 °C. The reaction mixture was stirred continuously at 55 °C for 30 min and then cooled to room temperature. Subsequently, the reaction solution was neutralized with 2.0 mol/L hydrochloric acid solution and finally purified by HP-20 resin column to obtain the target product 2-amino-6-bromobenzoic acid (1.60 g, 67% yield).

[References]

[1] Patent: EP2708540, 2014, A1. Location in patent: Paragraph 0092
[2] Proceedings of the Royal Society of London, Series B: Biological Sciences, 1958, vol. 148, p. 481,488
[3] Patent: WO2011/28741, 2011, A1. Location in patent: Page/Page column 202
[4] ACS Medicinal Chemistry Letters, 2016, vol. 7, # 9, p. 831 - 834
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