3-Amino-4-hydroxybenzoic acid - 10mM in DMSO , CAS No.1571-72-8

CAS: 1571-72-8 Cat. No.: A421883 Molecular Weight: 153.14 Beilstein Registry Number: 972238 EC Number: 216-390-2

GRADE & PURITY 10mM in DMSO

Synonyms

3-Amino-4-hydroxybenzoic acid | 3-amino-4-hydroxy-benzoic acid | W-108006 | DTXSID60166212 | CHEBI:29476 | 3,4-AHBA | BS-3844 | BBL012255 | AC-2757 | J-800248 | KSC-11-207-15 | 1H-Indole,4,5-difluoro-2-methyl- | 3-amino-4-hydroxybenzenecarboxylic acid | E

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

application：

3-Amino-4-hydroxybenzoic acid is used to produce 4-acetoxy-3-acetylamino-benzoic acid with acetic acid anhydride at temperature of 0 - 20°C. This reaction will need reagents aq. HCl and NaOAc.

Specifications

Synonyms

3-Amino-4-hydroxybenzoic acid | 3-amino-4-hydroxy-benzoic acid | W-108006 | DTXSID60166212 | CHEBI:29476 | 3, 4-AHBA | BS-3844 | BBL012255 | AC-2757 | J-800248 | KSC-11-207-15 | 1H-Indole, 4, 5-difluoro-2-methyl- | 3-amino-4-hydroxybenzenecarboxylic acid | E

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: C1=CC(=C(C=C1C(=O)O)N)O
• IUPAC Name: 3-amino-4-hydroxybenzoic acid
• InChIKey: MRBKRZAPGUCWOS-UHFFFAOYSA-N
• INCHI: 1S/C7H7NO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,8H2,(H,10,11)
• Isomeric SMILES: C1=CC(=C(C=C1C(=O)O)N)O
• WGK Germany: 3
• Molecular Weight: 153.14
• Beilstein: 972238
• Reaxy-Rn: 972238
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=972238&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 o-Aminophenols Benzoyl derivatives Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids 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 - O-aminophenol - Aminophenol - Benzoyl - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Phenol - 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
• Description: 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: monohydroxybenzoic acid - aminobenzoic acid

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

Associated Targets(Human)

EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)

Discover Target: EGFR

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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive; Air sensitive; Moisture sensitive
• Melt Point(°C): 208°C
• Molecular Weight: 153.140 g/mol
• XLogP3: 0.700
• 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

References

1. Bo-Wen Liu, Yu-Fei Lei, Xiao-Feng Liu, De-Ming Guo, Li Chen, Yu-Zhong Wang.  (2021)  Thermally induced end-group-capturing as an eco-friendly and general method for enhancing the fire safety of semi-aromatic polyesters.  POLYMER,      [PMID:] [10.1016/j.polymer.2021.123430]

2. Qinglong Zhang, Wen Zheng, Wangyang Lu, Wenxing Chen.  (2026)  Screening of Imidazole-Based Catalysts Through Model Reactions for Efficient Polymerization of AB-Type Polybenzoxazole Monomers and Investigation of the Catalytic Mechanism.  POLYMER ENGINEERING AND SCIENCE,      [PMID:] [10.1002/pen.70462]