2-Amino-3-bromobenzoic acid - ≥97% , CAS No.20776-51-6

CAS: 20776-51-6 Cat. No.: A123772 Summenformel: C₇H₆BrNO₂ Molekulargewicht: 216.03 EG-Nummer: 630-294-1

GRADE & PURITY ≥97%

Synonyms

AB15588 | AC-3177 | B5177 | 2-amino-3-bromo benzoic acid | 3-bromoanthranilic acid | AKOS005133183 | SY004317 | PS-3714 | NSC112517 | NSC-112517 | EN300-42205 | 2-Amino-3-bromobenzoicacid | 2-Amino-3-bromobenzoic acid | 2-amino-3-bromo-benzoic acid | NSC

Storage

Room temperature

Shipped In

Normal

Übersicht

Used as pharmaceutical intermediates.

Specifications

Synonyme

AB15588 | AC-3177 | B5177 | 2-amino-3-bromo benzoic acid | 3-bromoanthranilic acid | AKOS005133183 | SY004317 | PS-3714 | NSC112517 | NSC-112517 | EN300-42205 | 2-Amino-3-bromobenzoicacid | 2-Amino-3-bromobenzoic acid | 2-amino-3-bromo-benzoic acid | NSC

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488189180

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189180

Kanonisches Lächeln

C1=CC(=C(C(=C1)Br)N)C(=O)O

IUPAC Name

2-amino-3-bromobenzoic acid

InChIKey

SRIZNTFPBWRGPB-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

C1=CC(=C(C(=C1)Br)N)C(=O)O

WGK Deutschland

3

Molekulargewicht

216.03

Reaxy-Rn

2936928

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2936928&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Ebene5 Aminobenzoic acids and derivatives
          • Ebene6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Aminobenzoic acids and derivatives
• Direct Parent: Aminobenzoic acids
• Alternative Parents: 3-halobenzoic acids Halobenzoic acids Benzoic acids Benzoyl derivatives 2-bromoanilines Bromobenzenes Aryl bromides Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives Primary amines Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - 2-bromoaniline - Aniline or substituted anilines - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Primary amine - Organopnictogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aminobenzoic acids. These are benzoic acids containing an amine group attached to the benzene moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol
• Flammpunkt (°F): 321.8 °F
• Flammpunkt (°C): 161 °C
• Schmelzpunkt (°C): 174-178°C
• Molekulargewicht: 216.030 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 214.958 Da
• Monoisotopic Mass: 214.958 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 163.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 20776-51-6, the molecular formula is C7H6BrNO2, and the molecular weight is 216.03 g/mol. InChIKey SRIZNTFPBWRGPB-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.