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

CAS: 50573-74-5 Cat. No.: N159819 Formula: C₇H₆N₂O₄ Peso molecolare: 182.14 Beilstein Registry Number: 14(4)1089 Numero EC: 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

Sinonimi

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 |

Specifiche e purezza

≥97%(HPLC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥97%(HPLC)

Nomi e identificatori

• Pubchem Sid: 504756286
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756286
• Sorrisi canonici: 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)
• Isomeri SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)O)N
• Peso molecolare: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in methanol
• Punto di fusione (°C): 173℃
• Peso molecolare: 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