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

CAS: 636-30-6 Cat. No.: T107349 Molecular Weight: 196.46 Beilstein Registry Number: 879091 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504752355
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504752355
• Canonical Smiles: 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
• Isomeric SMILES: C1=C(C(=CC(=C1Cl)Cl)Cl)N
• WGK Germany: 3
• UN Number: 2811
• Molecular Weight: 196.46
• Beilstein: 879091
• Reaxy-Rn: 879091

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Flash Point(°F): 347 ℉
• Flash Point(°C): 175℃
• Boil Point(°C): 270℃
• Melt Point(°C): 93-95℃
• Molecular Weight: 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