4-Amino-2-chlorophenol - ≥98%(GC) , CAS No.3964-52-1

CAS: 3964-52-1 Cat. No.: A151243 Molecular Weight: 143.57 EC Number: 609-733-6

GRADE & PURITY ≥98%(GC)

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

Overview

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.
-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-i

Specifications

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

Specifications & Purity

≥98%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 488185427
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185427
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=C(C=C1N)Cl)O
• WGK Germany: 3
• Molecular Weight: 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
    • Class Phenols
      • Subclass Halophenols
        • Level5 Chlorophenols
          • Level6 O-chlorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO (Slightly), Methanol (Slightly)
• Sensitivity: air sensitive & heat sensitive
• Melt Point(°C): 150-153°C
• Molecular Weight: 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