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

GRADE & PURITY ≥98%

Synonyms

2-NitrophenylN-acetyl-alpha-Dgalactosaminide | Mesidine | Q4596776 | 2,4,6-Trimethylaniline (Mesidine), ND25=1,4959 | InChI=1/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H | 2,4,6-Trimethyl aniline | 1-Amino-2,4,6-trimethylbenzen [Czech] | Aniline, 2,4,6

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Descripción general

Used in the synthesis of Grubbs' catalyst.

Specifications

Sinónimos

2-NitrophenylN-acetyl-alpha-Dgalactosaminide | Mesidine | Q4596776 | 2,4,6-Trimethylaniline (Mesidine), ND25=1,4959 | InChI=1/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H | 2,4,6-Trimethyl aniline | 1-Amino-2,4,6-trimethylbenzen [Czech] | Aniline, 2,4,6

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%

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

Referencias

1. Lei Zhang, Jiale Mao, Shuang Wang, Yiting Zheng.  (2020)  Synthesis and thermal properties of phenol- and amine-capped main-chain benzoxazine oligomers with multiple methyl substitutions.  HIGH PERFORMANCE POLYMERS,      [PMID:] [10.1177/0954008320905362]

2. Xiaodan Li, Xiaoyong Luo, Ming Liu, Qichao Ran, Yi Gu.  (2014)  The catalytic mechanism of benzoxazine to the polymerization of cyanate ester.  MATERIALS CHEMISTRY AND PHYSICS,      [PMID:] [10.1016/j.matchemphys.2014.07.051]

3. Lijuan Shi, Liqiang Zheng.  (2012)  Aggregation Behavior of Surface Active Imidazolium Ionic Liquids in Ethylammonium Nitrate: Effect of Alkyl Chain Length, Cations, and Counterions.  JOURNAL OF PHYSICAL CHEMISTRY B,      [PMID:22268528] [10.1021/jp211338k]

4. Lijuan Shi, Na Li, Liqiang Zheng.  (2011)  Aggregation Behavior of Long-Chain N-Aryl Imidazolium Bromide in a Room Temperature Ionic Liquid.  Journal of Physical Chemistry C,      [PMID:] [10.1021/jp206325d]

5. Lijuan Shi, Na Li, Han Yan, Yan’an Gao, Liqiang Zheng.  (2011)  Aggregation Behavior of Long-Chain N-Aryl Imidazolium Bromide in Aqueous Solution.  LANGMUIR,      [PMID:21247213] [10.1021/la104719v]