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

CAS: 1571-72-8 Cat. No.: A421883 Summenformel: C₇H₇NO₃ Molekulargewicht: 153.14 Beilstein Registry Number: 972238 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Namen und Kennungen

Pubchem Sid

528758580

Kanonisches Lächeln

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)

Isomere SMILES

C1=CC(=C(C=C1C(=O)O)N)O

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive; Air sensitive; Moisture sensitive
• Schmelzpunkt (°C): 208°C
• Molekulargewicht: 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