2,4,6-Trimethylaniline - ≥98% , CAS No.88-05-1

CAS: 88-05-1 Cat. No.: T106599 Fórmula: C₉H₁₃N Peso molecular: 135.21 Beilstein Registry Number: 636559 Número EC: 201-794-3 PubChem CID: 6913

CALIDAD & PUREZA ≥98%

Synonyms

2-NitrophenylN-acetyl-alpha-Dgalactosaminide | Mesidine | 2,4,6-Trimethylaniline (Mesidine), ND25=1,4959 | 2,4,6-Trimethyl aniline | 1-Amino-2,4,6-trimethylbenzen [Czech] | Aniline, 2,4,6-trimethyl- | 2,4,6-Trimethylphenylamine | 2,4,6-trimethyl-phenylami

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Descripción general

Used in the synthesis of Grubbs' catalyst.

Especificaciones

Sinónimos

2-NitrophenylN-acetyl-alpha-Dgalactosaminide | Mesidine | 2,4,6-Trimethylaniline (Mesidine), ND25=1,4959 | 2,4,6-Trimethyl aniline | 1-Amino-2,4,6-trimethylbenzen [Czech] | Aniline, 2,4,6-trimethyl- | 2,4,6-Trimethylphenylamine | 2,4,6-trimethyl-phenylami

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Product Line

T106599-25ml

Nombres e identificadores

Pubchem Sid

488180202

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180202

Sonrisas canónicas

CC1=CC(=C(C(=C1)C)N)C

IUPAC Name

2,4,6-trimethylaniline

InChIKey

KWVPRPSXBZNOHS-UHFFFAOYSA-N

INCHI

1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3

Isómeros SMILES

CC1=CC(=C(C(=C1)C)N)C

WGK Alemania

3

RTECS

BZ0700000

PubChem CID

6913

Número ONU

2810

Grupo de embalaje

I

Peso molecular

135.21

Beilstein

636559

Reaxy-Rn

636559

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: substituted aniline

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 carbon tetrachloride (slightly). Insoluble in water.
• Sensibilidad: Air & Light Sensitive
• Índice de refracción: 1.551
• Punto de inflamación (°F): 204.8 °F
• Punto de inflamación (°C): 96℃
• Punto de ebullición (°C): 233°C
• Peso molecular: 135.210 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 99.300
• 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