2,6-Dibromo-4-(trifluoromethoxy)aniline - ≥98% , CAS No.88149-49-9

CAS: 88149-49-9 Cat. No.: D121023 Peso molecular: 334.92 Número EC: 618-118-1

GRADE & PURITY ≥98%

Synonyms

SCHEMBL968221 | 3,5-Dibromo-4-Amino Trifluoromethoxy Benzene | AM20060909 | EQF477YZ64 | SY016225 | 3,5-dibromo-4-aminotrifluoromethoxybenzene | 3,5-Dibromo-4-amino(trifluoromethoxy)benzene | D3038 | C7H4Br2F3NO | DTXSID10371612 | Benzenamine, 2,6-dibromo

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL968221 | 3, 5-Dibromo-4-Amino Trifluoromethoxy Benzene | AM20060909 | EQF477YZ64 | SY016225 | 3, 5-dibromo-4-aminotrifluoromethoxybenzene | 3, 5-Dibromo-4-amino(trifluoromethoxy)benzene | D3038 | C7H4Br2F3NO | DTXSID10371612 | Benzenamine, 2, 6-dibromo

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504761332
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761332
• Sonrisas canónicas: C1=C(C=C(C(=C1Br)N)Br)OC(F)(F)F
• IUPAC Name: 2,6-dibromo-4-(trifluoromethoxy)aniline
• InChIKey: JBSWOEGXMADXOU-UHFFFAOYSA-N
• INCHI: 1S/C7H4Br2F3NO/c8-4-1-3(14-7(10,11)12)2-5(9)6(4)13/h1-2H,13H2
• Isómeros SMILES: C1=C(C=C(C(=C1Br)N)Br)OC(F)(F)F
• Peso molecular: 334.92
• Reaxy-Rn: 15709940
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15709940&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds 2-bromoanilines Bromobenzenes Aryl bromides Trihalomethanes Primary amines Organopnictogen compounds Organooxygen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Aniline or substituted anilines - 2-bromoaniline - Phenol ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Trihalomethane - Alkyl fluoride - Primary amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Hydrocarbon derivative - Halomethane - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

• Punto de fusión (°C): 70-74°C
• Peso molecular: 334.920 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 334.859 Da
• Monoisotopic Mass: 332.861 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 190.000
• 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