(2,3,6-Trichlorophenyl)methanamine - ≥95% , CAS No.4960-49-0

CAS: 4960-49-0 Cat. No.: T589253 Summenformel: C₇H₆Cl₃N Molekulargewicht: 210.5 PubChem CID: 21532759

GRADE & PURITY ≥95%

Synonyms

2,3,6-TRICHLOROBENZYLAMINE | F75688 | 2-(4-AMINOANILINE)-5-NITROBENZENESULPHONICACID | SCHEMBL1765193 | (2,3,6-trichlorophenyl)methanamine | 1-(2,3,6-Trichlorophenyl)methanamine | A1-01510 | DTXSID20615675 | EN300-148027

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

2,3,6-TRICHLOROBENZYLAMINE | F75688 | 2-(4-AMINOANILINE)-5-NITROBENZENESULPHONICACID | SCHEMBL1765193 | (2,3,6-trichlorophenyl)methanamine | 1-(2,3,6-Trichlorophenyl)methanamine | A1-01510 | DTXSID20615675 | EN300-148027

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Protected from light,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 508806453
• Kanonisches Lächeln: C1=CC(=C(C(=C1Cl)CN)Cl)Cl
• IUPAC Name: (2,3,6-trichlorophenyl)methanamine
• InChIKey: BQTDSTACPKSLCW-UHFFFAOYSA-N
• INCHI: 1S/C7H6Cl3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2
• Isomere SMILES: C1=CC(=C(C(=C1Cl)CN)Cl)Cl
• PubChem CID: 21532759
• Molekulargewicht: 210.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenylmethylamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Chlorobenzenes Aralkylamines Aryl chlorides Organopnictogen compounds Organochlorides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amine - Organochloride - Organohalogen compound - Primary aliphatic amine - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Light sensitive
• Molekulargewicht: 210.500 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.957 Da
• Monoisotopic Mass: 208.957 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 131.000
• 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