4-Amino-2-chlorophenol - ≥90% , CAS No.3964-52-1

CAS: 3964-52-1 Cat. No.: A406730 Fórmula: C₆H₆ClNO Peso molecular: 143.57 Número CE: 609-733-6

GRADE & PURITY ≥90%

Synonyms

FT-0611752 | InChI=1/C6H6ClNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H | Eburnamonine (-) | M-CHLORO-P-HYDROXYANILINE | A6624 | BB 0246799 | 2-chloro-p-aminophenol | 4-Amino-2-chlorophenol; (3-Chloro-4-hydroxyphenyl)amine; 2-Chloro-4-aminophenol; 2-Chloro-p-aminop

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Visão geral

General description

4-Amino-2-chlorophenol (4A2CP) is a chlorinated aniline. Nephrotoxic potential of 4-amino-2-chlorophenol and its comparison with 4-aminophenol, 4-amino-2-chlorophenol, 4-amino-3-chlorophenol and 4-amino-2,6-dichlorophenol using isolated renal cortical cells from male Fischer 344 rats has been investigated.

Application

4-Amino-2-chlorophenol may be used in the synthesis of the following compounds:

• N-(3-chloro-4-hydroxyphenyl)-N′,N′-dimethylurea
• 1,4-diketo-3-((4-[N-(3-chloro-4-hydroxyphenyl)amino]sulfonyl)phenyl)-6-phenylpyrrolo[3,4-c]pyrrole, a novel fluorescent pH-indicator
• 4-(4-aminophenoxy)-N-(4-(4-aminophenoxy) benzylidene)-3-chloroaniline
• 4-(4-amino-3-methylphenoxy)-N-(4-(4-amino-3-methylphenoxy)benzylidene)-3-chloroaniline
• 4-(4-amino-2-methylphenoxy)-N-(4-(4-amino-2-methylphenoxy)benzylidene)-3-chloroaniline

Specifications

Sinónimos

FT-0611752 | InChI=1/C6H6ClNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H | Eburnamonine (-) | M-CHLORO-P-HYDROXYANILINE | A6624 | BB 0246799 | 2-chloro-p-aminophenol | 4-Amino-2-chlorophenol; (3-Chloro-4-hydroxyphenyl)amine; 2-Chloro-4-aminophenol; 2-Chloro-p-aminop

Especificações e pureza

≥90%

Condições de armazenamento de armazenamento

Store at 2-8°C,Argon charged

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥90%

Nomes e identificadores

Pubchem Sid

504755193

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755193

Sorrisos canónicos

C1=CC(=C(C=C1N)Cl)O

IUPAC Name

4-amino-2-chlorophenol

InChIKey

ZYZQSCWSPFLAFM-UHFFFAOYSA-N

INCHI

1S/C6H6ClNO/c7-5-3-4(8)1-2-6(5)9/h1-3,9H,8H2

SMILES isoméricas

C1=CC(=C(C=C1N)Cl)O

WGK Alemanha

3

Peso molecular

143.57

Reaxy-Rn

2802560

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2802560&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 O-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Chlorophenols
• Direct Parent: O-chlorophenols
• Alternative Parents: p-Aminophenols Aniline and substituted anilines Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Primary amines Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - P-aminophenol - Aniline or substituted anilines - 2-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Amine - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as o-chlorophenols. These are chlorophenols carrying a iodine at the C2 position of the benzene ring.
• 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

Alvos associados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

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

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

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

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: Air and heat sensitive
• Ponto de fusão (°C): 150-153°C
• Peso molecular: 143.570 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 143.014 Da
• Monoisotopic Mass: 143.014 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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