6-Nitroanthranilic Acid - ≥97%(HPLC) , CAS No.50573-74-5

CAS: 50573-74-5 Cat. No.: N159819 Formule: C₇H₆N₂O₄ Poids moléculaire: 182.14 Beilstein Registry Number: 14(4)1089 Numéro CE: 610-543-0

GRADE & PURITY ≥97%(HPLC)

Synonyms

NSC-36953 | SY003157 | STL556384 | 6-Nitro-2-Aminobenzoesaure | AE-848/01467029 | Metrogestone | AC-2863 | J-508011 | AMY7264 | EN300-93139 | DTXSID20198594 | Z1255442308 | NSC 36953 | 2-Amino-6-nitrobenzoicacid | 2-nitro-6-amino benzoic acid | PB42937 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonymes

NSC-36953 | SY003157 | STL556384 | 6-Nitro-2-Aminobenzoesaure | AE-848/01467029 | Metrogestone | AC-2863 | J-508011 | AMY7264 | EN300-93139 | DTXSID20198594 | Z1255442308 | NSC 36953 | 2-Amino-6-nitrobenzoicacid | 2-nitro-6-amino benzoic acid | PB42937 |

Spécifications et pureté

≥97%(HPLC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%(HPLC)

Noms et identifiants

Pubchem Sid

504756286

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504756286

Sourires canoniques

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N

IUPAC Name

2-amino-6-nitrobenzoic acid

InChIKey

GGKYLHNARFFORH-UHFFFAOYSA-N

INCHI

1S/C7H6N2O4/c8-4-2-1-3-5(9(12)13)6(4)7(10)11/h1-3H,8H2,(H,10,11)

Isomères SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N

Poids moléculaire

182.14

Beilstein

14(4)1089

Reaxy-Rn

2807130

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2807130&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
• Description: 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: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in methanol
• Point de fusion (°C): 173℃
• Poids moléculaire: 182.130 g/mol
• XLogP3: 0.800
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 50573-74-5, the molecular formula is C7H6N2O4, and the molecular weight is 182.14 g/mol. InChIKey GGKYLHNARFFORH-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.