5-Amino-4-chloro-2-methylphenol - ≥97% , CAS No.110102-86-8

CAS: 110102-86-8 Cat. No.: D302187 Peso molecular: 157.6

GRADE & PURITY ≥97%

Synonyms

5-Amino-4-chloro-2-methylphenol, AldrichCPR | 3-Amino-4-chloro-6-methylphenol | 5-Amino-4-chloro-o-cresol [INCI] | SY007006 | AS-15896 | 5-amino-4-chloro-o-cresol | 2-Methyl-5-amino-4-chlorophenol | 5-AMINO-4-CHLORO-2-METHYLPHENOL | FT-0692677 | WDQMXRWYX

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

5-Amino-4-chloro-2-methylphenol is a reagent used in the synthesis of biospecfic compounds which exhibits biological and spermicidal activity.

Specifications

Sinónimos

5-Amino-4-chloro-2-methylphenol, AldrichCPR | 3-Amino-4-chloro-6-methylphenol | 5-Amino-4-chloro-o-cresol [INCI] | SY007006 | AS-15896 | 5-amino-4-chloro-o-cresol | 2-Methyl-5-amino-4-chlorophenol | 5-AMINO-4-CHLORO-2-METHYLPHENOL | FT-0692677 | WDQMXRWYX

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504765299
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765299
• Sonrisas canónicas: CC1=CC(=C(C=C1O)N)Cl
• IUPAC Name: 5-amino-4-chloro-2-methylphenol
• InChIKey: WDQMXRWYXILWPT-UHFFFAOYSA-N
• INCHI: 1S/C7H8ClNO/c1-4-2-5(8)6(9)3-7(4)10/h2-3,10H,9H2,1H3
• Isómeros SMILES: CC1=CC(=C(C=C1O)N)Cl
• Peso molecular: 157.6
• Reaxy-Rn: 2356762
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2356762&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho cresols
• Alternative Parents: m-Aminophenols P-chlorophenols Aniline and substituted anilines Aminotoluenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Primary amines Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - M-aminophenol - 4-halophenol - O-cresol - 4-chlorophenol - Aminotoluene - Aniline or substituted anilines - Chlorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
• 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: 157.600 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 157.029 Da
• Monoisotopic Mass: 157.029 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 120.000
• 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