3,4,5-Trichloroaniline - ≥98% , CAS No.634-91-3

CAS: 634-91-3 Cat. No.: T161618 Peso molecular: 196.46 Beilstein Registry Number: 638880 Número EC: 211-218-2 PubChem CID: 12469

GRADE & PURITY ≥98%

Synonyms

SCHEMBL330561 | NSC 115260 | SY049434 | Z1250167428 | 3,4,5 trichloroaniline | A834400 | Benzenamine, 3,4,5-trichloro- | NSC115260 | NSC-115260 | 3,4,5-TRICHLOROANILINE | 3,4,5-trichloro-aniline | 3.4.5-Trichloroaniline | MFCD00007769 | EN300-84163 | CCRI

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

3,4,5-Trichloroaniline forms tri- and tetrachloroaniline-Pt(II) complexes having good antileukemic activity.

Specifications

Sinónimos

SCHEMBL330561 | NSC 115260 | SY049434 | Z1250167428 | 3, 4, 5 trichloroaniline | A834400 | Benzenamine, 3, 4, 5-trichloro- | NSC115260 | NSC-115260 | 3, 4, 5-TRICHLOROANILINE | 3, 4, 5-trichloro-aniline | 3.4.5-Trichloroaniline | MFCD00007769 | EN300-84163 | CCRI

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504752349
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752349
• Sonrisas canónicas: C1=C(C=C(C(=C1Cl)Cl)Cl)N
• IUPAC Name: 3,4,5-trichloroaniline
• InChIKey: XOGYQVITULCUGU-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2
• Isómeros SMILES: C1=C(C=C(C(=C1Cl)Cl)Cl)N
• WGK Alemania: 3
• PubChem CID: 12469
• Peso molecular: 196.46
• Beilstein: 638880

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: Chlorobenzenes Aryl chlorides Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aniline or substituted anilines - Halobenzene - Chlorobenzene - Aryl halide - Aryl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organochloride - Organohalogen 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: 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

• Solubilidad: Insoluble in water.
• Sensibilidad: air sensitive
• Punto de fusión (°C): 96-100°C
• Peso molecular: 196.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 194.941 Da
• Monoisotopic Mass: 194.941 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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. Lijuan Xu, Xinzhong Hu, Liang Zou, Tian Ren.  (2023)  Preparation of photosensitive antibacterial nanocomposite film and its preservation effect on pork loin.  LWT-FOOD SCIENCE AND TECHNOLOGY,      [PMID:] [10.1016/j.lwt.2023.115586]