2-Amino-5-methylphenol - ≥98% , CAS No.2835-98-5

CAS: 2835-98-5 Cat. No.: A121774 Peso molecular: 123.15 Beilstein Registry Number: 386144 Número EC: 220-620-7

GRADE & PURITY ≥98%

Synonyms

.beta.-Hydroxypropyl acrylate | 6-Amino-m-cresol | KSC-11-207-2 | Oprea1_628116 | BBL002991 | 6-AMINO-M-CRESOL [INCI] | EINECS 220-620-7 | EN300-20860 | STK378547 | 2-hydroxy-4-methyl aniline | 2-Hydroxy-p-toluidine | W-107049 | Q27287198 | 2-Hydroxy-4-me

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

Synthesis of tridentate Schiff base ligand and novel non-metallocene catalysts with phenoxy-imine ligands.

Specifications

Sinónimos

.beta.-Hydroxypropyl acrylate | 6-Amino-m-cresol | KSC-11-207-2 | Oprea1_628116 | BBL002991 | 6-AMINO-M-CRESOL [INCI] | EINECS 220-620-7 | EN300-20860 | STK378547 | 2-hydroxy-4-methyl aniline | 2-Hydroxy-p-toluidine | W-107049 | Q27287198 | 2-Hydroxy-4-me

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504755023
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755023
• Sonrisas canónicas: CC1=CC(=C(C=C1)N)O
• IUPAC Name: 2-amino-5-methylphenol
• InChIKey: HCPJEHJGFKWRFM-UHFFFAOYSA-N
• INCHI: 1S/C7H9NO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
• Isómeros SMILES: CC1=CC(=C(C=C1)N)O
• WGK Alemania: 3
• Peso molecular: 123.15
• Beilstein: 386144
• Reaxy-Rn: 386144
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386144&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: Meta cresols
• Alternative Parents: o-Aminophenols Aniline and substituted anilines Aminotoluenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminophenol - M-cresol - Aniline or substituted anilines - Aminotoluene - O-aminophenol - Toluene - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Monocyclic benzene moiety - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as meta cresols. These are aromatic compounds containing a meta-cresol moiety, which consists of a benzene ring bearing a methyl group and a hydroxyl group at ring positions 1 and 3, respectively.
• External Descriptors: an aromatic compound

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

• Solubilidad: Soluble in methanol.
• Sensibilidad: Air sensitive.
• Punto de fusión (°C): 159°C
• Peso molecular: 123.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 123.068 Da
• Monoisotopic Mass: 123.068 Da
• Topological Polar Surface Area: 46.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 94.900
• 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