2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride - ≥97%(GC) , CAS No.651-83-2

CAS: 651-83-2 Cat. No.: T161785 Molecular Weight: 233.09 EC Number: 624-367-7 PubChem CID: 616257

GRADE & PURITY ≥97%(GC)

Synonyms

DTXSID10346901 | AKOS000308749 | Yu-Wasa Auxiliary, 97% | 2,3,5,6-Tetrafluoro-4-aminobenzotrifluoride | SCHEMBL1639619 | A835006 | 2,3,5,6-Tetrafluoro-4-(trifluoromethyl)benzenamine | 4-aminotetrafluorobenzotrifluoride | T1529 | 2,3,5,6-tetrafluoro-4-trif

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

DTXSID10346901 | AKOS000308749 | Yu-Wasa Auxiliary, 97% | 2, 3, 5, 6-Tetrafluoro-4-aminobenzotrifluoride | SCHEMBL1639619 | A835006 | 2, 3, 5, 6-Tetrafluoro-4-(trifluoromethyl)benzenamine | 4-aminotetrafluorobenzotrifluoride | T1529 | 2, 3, 5, 6-tetrafluoro-4-trif

Specifications & Purity

≥97%(GC)

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488190759
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190759
• Canonical Smiles: C1(=C(C(=C(C(=C1F)F)N)F)F)C(F)(F)F
• IUPAC Name: 2,3,5,6-tetrafluoro-4-(trifluoromethyl)aniline
• InChIKey: FJOACTZFMHZHSC-UHFFFAOYSA-N
• INCHI: 1S/C7H2F7N/c8-2-1(7(12,13)14)3(9)5(11)6(15)4(2)10/h15H2
• Isomeric SMILES: C1(=C(C(=C(C(=C1F)F)N)F)F)C(F)(F)F
• PubChem CID: 616257
• Molecular Weight: 233.09
• Reaxy-Rn: 2657893

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Aniline and substituted anilines Fluorobenzenes Aryl fluorides Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Amine - Primary amine - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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
• Refractive Index: 1.43
• Flash Point(°F): 87°C
• Flash Point(°C): 87°C
• Boil Point(°C): 186°C
• Molecular Weight: 233.090 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 233.008 Da
• Monoisotopic Mass: 233.008 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 214.000
• 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