4-Amino-3-nitrobenzoic Acid - ≥95%(HPLC) , CAS No.1588-83-6

CAS: 1588-83-6 Cat. No.: A151466 Peso molecular: 182.14 Beilstein Registry Number: 14(4)1287 Número EC: 216-453-4

GRADE & PURITY ≥95%(HPLC)

Synonyms

4-Amino-3-nitrobenzoic acid | 4-Amino-3-nitro-benzoic acid | 4-amino3-nitrobenzoic acid | AS-8188 | SMR000364241 | 4-Amino-4/'-nitrobiphenyl | 4-Hydroxybenzoic acid n-octyl ester | 4-Carboxy-2-nitroaniline | 4-Amino-3-nitrobenzoic acid, 97% | NSC 20673 |

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

4-Amino-3-nitrobenzoic acid | 4-Amino-3-nitro-benzoic acid | 4-amino3-nitrobenzoic acid | AS-8188 | SMR000364241 | 4-Amino-4/'-nitrobiphenyl | 4-Hydroxybenzoic acid n-octyl ester | 4-Carboxy-2-nitroaniline | 4-Amino-3-nitrobenzoic acid, 97% | NSC 20673 |

Especificaciones y pureza

≥95%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥95%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488184872
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184872
• Sonrisas canónicas: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N
• IUPAC Name: 4-amino-3-nitrobenzoic acid
• InChIKey: ZZNAYFWAXZJITH-UHFFFAOYSA-N
• INCHI: 1S/C7H6N2O4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,8H2,(H,10,11)
• Isómeros SMILES: C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])N
• WGK Alemania: 3
• Peso molecular: 182.14
• Beilstein: 14(4)1287
• Reaxy-Rn: 645206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=645206&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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 Amino acids Monocarboxylic acids and derivatives Carboxylic acids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives Primary amines Organic zwitterions Organooxygen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzoate - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aniline or substituted anilines - 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
• Descripción: 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

Objetivos asociados (humanos)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

LMNA Tbio Prelamin-A/C (36751 Activities)

Discover Target: LMNA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CGA Tbio Glycoprotein hormones alpha chain (29278 Activities)

Discover Target: CGA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Escherichia coli (133304 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 280 °C (dec.) (lit.)
• Peso molecular: 182.130 g/mol
• XLogP3: 0.700
• 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