5-Hydroxy-2-nitrobenzoic Acid - ≥98%(GC) , CAS No.610-37-7

CAS: 610-37-7 Cat. No.: H133944 Peso molecular: 183.12 Beilstein Registry Number: 10(4)338 Número EC: 629-984-5

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS009157631 | 3-carboxy-4-nitrophenol;2-Nitro-5-hydroxybenzoic acid | 5-Hydroxy-2-Nitro Benzoic Acid | AMY28119 | AC-3262 | doi:10.14272/BUHKQTKKZAXSMH-UHFFFAOYSA-N.1 | A20360 | AO-801/41077445 | BRN 2107504 | EN300-116557 | H1321 | MFCD00017566 | AS-15

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

AKOS009157631 | 3-carboxy-4-nitrophenol;2-Nitro-5-hydroxybenzoic acid | 5-Hydroxy-2-Nitro Benzoic Acid | AMY28119 | AC-3262 | doi:10.14272/BUHKQTKKZAXSMH-UHFFFAOYSA-N.1 | A20360 | AO-801/41077445 | BRN 2107504 | EN300-116557 | H1321 | MFCD00017566 | AS-15

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 504752214
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752214
• Sonrisas canónicas: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
• IUPAC Name: 5-hydroxy-2-nitrobenzoic acid
• InChIKey: BUHKQTKKZAXSMH-UHFFFAOYSA-N
• INCHI: 1S/C7H5NO5/c9-4-1-2-6(8(12)13)5(3-4)7(10)11/h1-3,9H,(H,10,11)
• Isómeros SMILES: C1=CC(=C(C=C1O)C(=O)O)[N+](=O)[O-]
• RTECS: DH2528250
• Peso molecular: 183.12
• Beilstein: 10(4)338
• Reaxy-Rn: 2107504
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2107504&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: Nitrophenols Hydroxybenzoic acid derivatives Benzoic acids Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboxylic acids Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Nitrobenzoate - Hydroxybenzoic acid - Nitrophenol - Benzoic acid - Nitrobenzene - Nitroaromatic compound - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic nitro compound - C-nitro compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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

Propiedades químicas y físicas

• Punto de fusión (°C): 170 °C
• Peso molecular: 183.120 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 183.017 Da
• Monoisotopic Mass: 183.017 Da
• Topological Polar Surface Area: 103.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 223.000
• 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