3,5-Dibromobenzotrifluoreto - ≥98% , CAS No.401-84-3

CAS: 401-84-3 Cat. No.: D133425 Fórmula: C₇H₃Br₂F₃ Peso molecular: 303.9 Beilstein Registry Number: 2093912 Número CE: 674-736-1

GRADE & PURITY ≥98%

Synonyms

A824964 | 3,5-Dibromobenzotrifluoride | MFCD00526219 | AKOS001026740 | HMS1787J22 | 1,3-bis(bromanyl)-5-(trifluoromethyl)benzene | SY025104 | F14535 | DTXSID00366279 | PS-7116 | FT-0687067 | AMY40553 | 1,3-dibromo-5-(trifluoromethyl)benzene | SCHEMBL10822

Storage

Armazenar a 2-8°C

Shipped In

Gelo húmido

Visão geral

aplicação：

3,5-Dibromobenzotrifluoreto usado como intermediário em síntese orgânica e produtos farmacêuticos.

Specifications

Sinónimos

A824964 | 3,5-Dibromobenzotrifluoride | MFCD00526219 | AKOS001026740 | HMS1787J22 | 1,3-bis(bromanyl)-5-(trifluoromethyl)benzene | SY025104 | F14535 | DTXSID00366279 | PS-7116 | FT-0687067 | AMY40553 | 1,3-dibromo-5-(trifluoromethyl)benzene | SCHEMBL10822

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C

Enviado em

Gelo húmido

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504760683
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760683
• Sorrisos canónicos: C1=C(C=C(C=C1Br)Br)C(F)(F)F
• IUPAC Name: 1,3-dibromo-5-(trifluoromethyl)benzene
• InChIKey: OFNXSUANJLHGQN-UHFFFAOYSA-N
• INCHI: 1S/C7H3Br2F3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
• SMILES isoméricas: C1=C(C=C(C=C1Br)Br)C(F)(F)F
• Peso molecular: 303.9
• Beilstein: 2093912
• Reaxy-Rn: 2093912
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2093912&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Bromobenzenes Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Trifluoromethylbenzene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Slightly soluble in water.
• Índice de refração: 1.52
• Ponto de inflamação (°C): 75 °C
• Ponto de ebulição (°C): 211 °C
• Peso molecular: 303.900 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 303.853 Da
• Monoisotopic Mass: 301.855 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 147.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 401-84-3, the molecular formula is C7H3Br2F3, and the molecular weight is 303.9 g/mol. InChIKey OFNXSUANJLHGQN-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.