2,2'-Bis(trifluoromethyl)benzidine（TFMB） - ≥98% , CAS No.341-58-2

CAS: 341-58-2 Cat. No.: B119981 Peso molecular: 320.23 Beilstein Registry Number: 13(4)416 Número EC: 671-105-2

GRADE & PURITY ≥98%

Synonyms

InChI=1/C14H10F6N2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H,21-22H2 | SY016481 | J-019470 | 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline | AS-14398 | TFMB | 2,2'-BIS(TRIFLUOROMETHYL)BENZIDINE 2,2'-bis(trifl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

InChI=1/C14H10F6N2/c15-13(16, 17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18, 19)20/h1-6H, 21-22H2 | SY016481 | J-019470 | 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline | AS-14398 | TFMB | 2, 2'-BIS(TRIFLUOROMETHYL)BENZIDINE 2, 2'-bis(trifl

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488190811
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190811
• Sonrisas canónicas: C1=CC(=C(C=C1N)C(F)(F)F)C2=C(C=C(C=C2)N)C(F)(F)F
• IUPAC Name: 4-[4-amino-2-(trifluoromethyl)phenyl]-3-(trifluoromethyl)aniline
• InChIKey: NVKGJHAQGWCWDI-UHFFFAOYSA-N
• INCHI: 1S/C14H10F6N2/c15-13(16,17)11-5-7(21)1-3-9(11)10-4-2-8(22)6-12(10)14(18,19)20/h1-6H,21-22H2
• Isómeros SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C2=C(C=C(C=C2)N)C(F)(F)F
• Peso molecular: 320.23
• Beilstein: 13(4)416
• Reaxy-Rn: 2770781
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2770781&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzidines
• Alternative Parents: Trifluoromethylbenzenes Aniline and substituted anilines Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzidine - Trifluoromethylbenzene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzidines. These are organic compounds containing the benzidine skeleton, made up of a biphenyl ring system substituted at the 4- and 4'-positions with a unsubstituted amine group.
• 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

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLA Tclin Alpha-galactosidase A (5444 Activities)

Discover Target: GLA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

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POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

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APOBEC3G Tchem DNA dC->dU-editing enzyme APOBEC-3G (12481 Activities)

Discover Target: APOBEC3G

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

IDH1 Tclin Isocitrate dehydrogenase [NADP] cytoplasmic (40980 Activities)

Discover Target: IDH1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Streptococcus (3973 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

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Streptococcus sp. 'group A' (3417 Activities)

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ska Streptokinase A (5805 Activities)

Discover Target: ska

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Insoluble in methanol.
• Punto de fusión (°C): 183°C
• Peso molecular: 320.230 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 1
• Exact Mass: 320.075 Da
• Monoisotopic Mass: 320.075 Da
• Topological Polar Surface Area: 52.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 345.000
• 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

Referencias

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20. Changchun Qi, Xiong Yang, Jiufeng Dong, Guangyu Sun, Wenrui Li, Fangzheng Zou, Ruitong Zhou, Xiaogang Qin, Baipeng Song, Guanjun Zhang.  (2025)  Trap State Modulation via Strong Electron-Withdrawing Groups for Enhanced Vacuum Surface Insulation of All-Organic Polyimide.  ACS Applied Materials & Interfaces,      [PMID:40811861] [10.1021/acsami.5c10530]

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