2,5-Dichloro-4-aminophenol - ≥96% , CAS No.50392-39-7

CAS: 50392-39-7 Cat. No.: D193616 Fórmula: C₆H₅Cl₂NO Peso molecular: 178.02

CALIDAD & PUREZA ≥96%

Synonyms

AKOS006331678 | FT-0687045 | DS-0885 | SCHEMBL2779101 | 4-Amino-2,5-dichlorophenol | 4-amino-2,5-dichloro-phenol | AM83048 | 2,5-DICHLORO-4-AMINOPHENOL | SY033522 | Phenol, 4-amino-2,5-dichloro- | DTXSID90430751 | MFCD09743861 | A7476 | CL8496 | 2,5-Dichl

Storage

Store at 2-8°C

Shipped In

Wet ice

Especificaciones

Sinónimos

AKOS006331678 | FT-0687045 | DS-0885 | SCHEMBL2779101 | 4-Amino-2,5-dichlorophenol | 4-amino-2,5-dichloro-phenol | AM83048 | 2,5-DICHLORO-4-AMINOPHENOL | SY033522 | Phenol, 4-amino-2,5-dichloro- | DTXSID90430751 | MFCD09743861 | A7476 | CL8496 | 2,5-Dichl

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

Pubchem Sid

504764851

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764851

Sonrisas canónicas

C1=C(C(=CC(=C1Cl)O)Cl)N

IUPAC Name

4-amino-2,5-dichlorophenol

InChIKey

RVLKXVCJBJCTCE-UHFFFAOYSA-N

INCHI

1S/C6H5Cl2NO/c7-3-2-6(10)4(8)1-5(3)9/h1-2,10H,9H2

Isómeros SMILES

C1=C(C(=CC(=C1Cl)O)Cl)N

Peso molecular

178.02

Reaxy-Rn

2963747

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2963747&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: p-Aminophenols O-chlorophenols M-chlorophenols Aniline and substituted anilines 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Primary amines Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - 1,4-dichlorobenzene - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - Aniline or substituted anilines - P-aminophenol - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Aryl halide - Aryl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Propiedades químicas y físicas

• Peso molecular: 178.010 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 176.975 Da
• Monoisotopic Mass: 176.975 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• 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