2,4,5-Trichloroaniline - ≥97% , CAS No.636-30-6

CAS: 636-30-6 Cat. No.: T107349 Peso molecular: 196.46 Beilstein Registry Number: 879091 Número EC: 211-254-9

GRADE & PURITY ≥97%

Synonyms

EC 211-254-9 | STL197479 | 2,4,5-trichlorobenzenamine | InChI=1/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H | 2,4,5-Trichloro aniline | 2,4,5-Trichloroaniline, PESTANAL(R), analytical standard | T0374 | EINECS 211-254-9 | AKOS000120401 | F14581 | NSC64139

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

EC 211-254-9 | STL197479 | 2, 4, 5-trichlorobenzenamine | InChI=1/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H, 10H | 2, 4, 5-Trichloro aniline | 2, 4, 5-Trichloroaniline, PESTANAL(R), analytical standard | T0374 | EINECS 211-254-9 | AKOS000120401 | F14581 | NSC64139

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

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Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504752355
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752355
• Sonrisas canónicas: C1=C(C(=CC(=C1Cl)Cl)Cl)N
• IUPAC Name: 2,4,5-trichloroaniline
• InChIKey: GUMCAKKKNKYFEB-UHFFFAOYSA-N
• INCHI: 1S/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
• Isómeros SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)N
• WGK Alemania: 3
• Número ONU: 2811
• Peso molecular: 196.46
• Beilstein: 879091
• Reaxy-Rn: 879091

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

• Sensibilidad: air sensitive
• Punto de inflamación (°F): 347 ℉
• Punto de inflamación (°C): 175℃
• Punto de ebullición (°C): 270℃
• Punto de fusión (°C): 93-95℃
• Peso molecular: 196.500 g/mol
• XLogP3: 3.700
• 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: 120.000
• 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