5-Hydroxyanthranilic Acid - ≥98% , CAS No.394-31-0

CAS: 394-31-0 Cat. No.: H157072 Formula: C₇H₇NO₃ Peso molecolare: 153.14 Numero EC: 628-812-6

GRADE & PURITY ≥98%

Synonyms

DTXSID70192587 | SCHEMBL258366 | H0631 | 1,3-diimino isoindoline | Diabeton | 5-HYDROXYANTHRANILIC ACID [WHO-DD] | Q27291057 | 10.14272/HYNQTSZBTIOFKH-UHFFFAOYSA-N.1 | A6599 | AKOS000119773 | Helio Fast Orange 3RT | CHEBI:181437 | UNII-UF9WW3I410 | HY-W00

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

DTXSID70192587 | SCHEMBL258366 | H0631 | 1,3-diimino isoindoline | Diabeton | 5-HYDROXYANTHRANILIC ACID [WHO-DD] | Q27291057 | 10.14272/HYNQTSZBTIOFKH-UHFFFAOYSA-N.1 | A6599 | AKOS000119773 | Helio Fast Orange 3RT | CHEBI:181437 | UNII-UF9WW3I410 | HY-W00

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504757547

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757547

Sorrisi canonici

C1=CC(=C(C=C1O)C(=O)O)N

IUPAC Name

2-amino-5-hydroxybenzoic acid

InChIKey

HYNQTSZBTIOFKH-UHFFFAOYSA-N

INCHI

1S/C7H7NO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9H,8H2,(H,10,11)

Isomeri SMILES

C1=CC(=C(C=C1O)C(=O)O)N

WGK Germania

3

Peso molecolare

153.14

Reaxy-Rn

2803663

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2803663&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: Hydroxybenzoic acid derivatives
• Alternative Parents: Aminobenzoic acids Benzoic acids p-Aminophenols Benzoyl derivatives Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Vinylogous amides Amino acids Monocarboxylic acids and derivatives Carboxylic acids Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid - Aminobenzoic acid or derivatives - Hydroxybenzoic acid - Benzoic acid - P-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Vinylogous amide - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Primary amine - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• 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

• Sensibilità: Air Sensitive
• Punto di fusione (°C): 247°C
• Peso molecolare: 153.140 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 153.043 Da
• Monoisotopic Mass: 153.043 Da
• Topological Polar Surface Area: 83.600 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 394-31-0, the molecular formula is C7H7NO3, and the molecular weight is 153.14 g/mol. InChIKey HYNQTSZBTIOFKH-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.