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

CAS: 20776-51-6 Cat. No.: A123772 Formula: C₇H₆BrNO₂ Peso molecolare: 216.03 Numero EC: 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

Panoramica

Used as pharmaceutical intermediates.

Specifications

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

• Pubchem Sid: 488189180
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488189180
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=CC(=C(C(=C1)Br)N)C(=O)O
• WGK Germania: 3
• Peso molecolare: 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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Aminobenzoic acids and derivatives
          • Level6 Aminobenzoic acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol
• Punto di infiammabilità (°F): 321.8 °F
• Punto di infiammabilità (°C): 161 °C
• Punto di fusione (°C): 174-178°C
• Peso molecolare: 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

Domande frequenti

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.