p-Toluamide - ≥98%(HPLC) , CAS No.619-55-6

CAS: 619-55-6 Cat. No.: P160467 Peso molecular: 135.17 Beilstein Registry Number: 9(4)1733 Número EC: 210-600-6 PubChem CID: 69274

GRADE & PURITY ≥98%(HPLC)

Synonyms

UNII-N0V326V2F5 | CLADRIBINE IMPURITY F [EP IMPURITY] | F3147-3716 | SY022887 | TOLUAMIDE, P- | FT-0632592 | Mettler-Toledo Calibration substance ME 30130597, p-Toluamide, traceable to primary standards (LGC) | p-Toluamide | Q27284361 | 4-toluamide | BS-3

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

p-Toluamide has been used in preparation of p-toloyl isocyanate

product description：

Mettler-Toledo calibration substance ME 30130597, p-toluamide is an analytical standard, ideal for use in the routine calibration of Mettler-Toledo melting point instrument. Its value is measured as a mean of 6 to 12 iterations using a Mettler-Toledo MP70 Excellence instrument that is calibrated with primary standards. The melting point determination is carried out by Capillary method in accordance with European Pharmacopeia (2.2.14.)

application：

p-Toluamide Mettler-Toledo calibration substance ME 30130597 is used to calibrate Mettler-Toledo melting point instruments.

Specifications

Sinónimos

UNII-N0V326V2F5 | CLADRIBINE IMPURITY F [EP IMPURITY] | F3147-3716 | SY022887 | TOLUAMIDE, P- | FT-0632592 | Mettler-Toledo Calibration substance ME 30130597, p-Toluamide, traceable to primary standards (LGC) | p-Toluamide | Q27284361 | 4-toluamide | BS-3

Especificaciones y pureza

≥98%(HPLC)

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504754357
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754357
• Sonrisas canónicas: CC1=CC=C(C=C1)C(=O)N
• IUPAC Name: 4-methylbenzamide
• InChIKey: UHBGYFCCKRAEHA-UHFFFAOYSA-N
• INCHI: 1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)
• Isómeros SMILES: CC1=CC=C(C=C1)C(=O)N
• WGK Alemania: 3
• RTECS: CV5570150
• PubChem CID: 69274
• Peso molecular: 135.17
• Beilstein: 9(4)1733
• Reaxy-Rn: 774353

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: p-Toluamides Benzoyl derivatives Primary carboxylic acid amides Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzamide - P-toluamide - Toluamide - Benzoyl - Toluene - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in Methanol
• Punto de fusión (°C): 158-162°C
• Peso molecular: 135.160 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.068 Da
• Monoisotopic Mass: 135.068 Da
• Topological Polar Surface Area: 43.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 125.000
• 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

Referencias

1. Hao Wu, Jingkang Wang, Fei Li, Qi Liu, Shuyi Zong, Jingtao Bi, Na Wang, Guoqiang Shan, Hongxun Hao.  (2019)  Investigations on growth intensification of p-toluamide crystals based on growth rate analysis and molecular simulation.  CRYSTENGCOMM,  21  (36): (5519-5525).  [PMID:] [10.1039/C9CE00872A]