5-Nitroanthranilic Acid - ≥98%(T) , CAS No.616-79-5

CAS: 616-79-5 Cat. No.: N159341 Fórmula: C₇H₆N₂O₄ Peso molecular: 182.14 Beilstein Registry Number: 646219 Número CE: 210-493-6

GRADE & PURITY ≥98%(T)

Synonyms

AKOS040744422 | 2-azanyl-5-nitro-benzoic acid | NSC16208 | NSC-16208 | 2-Amino-5-nitrobenzoic acid, 95% | NSC63867 | NSC-63867 | Anthranilic acid, 5-nitro- | HY-Y1681 | 2-Amino-5-nitrobenzoic acid, technical grade, 90% | AM62640 | STK267557 | Q27130976 |

Storage

Room temperature

Shipped In

Normal

Visão geral

2-Amino-5-nitrobenzoic acid, is used as an intermediate for dyes and pharmaceuticals.

Specifications

Sinónimos

AKOS040744422 | 2-azanyl-5-nitro-benzoic acid | NSC16208 | NSC-16208 | 2-Amino-5-nitrobenzoic acid, 95% | NSC63867 | NSC-63867 | Anthranilic acid, 5-nitro- | HY-Y1681 | 2-Amino-5-nitrobenzoic acid, technical grade, 90% | AM62640 | STK267557 | Q27130976 |

Especificações e pureza

≥98%(T)

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥98%(T)

Nomes e identificadores

• Pubchem Sid: 488181515
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181515
• Sorrisos canónicos: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)N
• IUPAC Name: 2-amino-5-nitrobenzoic acid
• InChIKey: RUCHWTKMOWXHLU-UHFFFAOYSA-N
• INCHI: 1S/C7H6N2O4/c8-6-2-1-4(9(12)13)3-5(6)7(10)11/h1-3H,8H2,(H,10,11)
• SMILES isoméricas: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)N
• WGK Alemanha: 2
• Peso molecular: 182.14
• Beilstein: 646219
• Reaxy-Rn: 646219
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=646219&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzoic acids and derivatives
• Alternative Parents: Aminobenzoic acids Benzoic acids Nitrobenzenes Aniline and substituted anilines Benzoyl derivatives Nitroaromatic compounds Vinylogous amides Amino acids Organic oxoazanium compounds Monocarboxylic acids and derivatives Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxides Primary amines Hydrocarbon derivatives Organic zwitterions Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - Vinylogous amide - Amino acid or derivatives - Amino acid - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as nitrobenzoic acids and derivatives. These are compounds containing a nitrobenzoic acid moiety, which consists of a benzene ring bearing both a carboxylic acid group and a nitro group on two different ring carbon atoms.
• External Descriptors: aminobenzoic acid

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Insoluble in water.
• Ponto de fusão (°C): 270℃
• Peso molecular: 182.130 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 182.033 Da
• Monoisotopic Mass: 182.033 Da
• Topological Polar Surface Area: 109.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 225.000
• 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

Perguntas frequentes

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 616-79-5, the molecular formula is C7H6N2O4, and the molecular weight is 182.14 g/mol. InChIKey RUCHWTKMOWXHLU-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.