Pentafluorophenylmagnesium bromide solution - 0.5 M in diethyl ether , CAS No.879-05-0

CAS: 879-05-0 Cat. No.: P434312 분자식: C₆F₅MgBr 분자량: 271.27 EC 번호: 628-260-6 PubChem CID: 3319152

GRADE & PURITY 0.5 M in diethyl ether

Synonyms

SCHEMBL1446910 | DTXSID1075438 | AXQVMJIDNDRSFM-UHFFFAOYSA-M | pentafluorophenyl magnesiumbromide | Magnesium, bromo(pentafluorophenyl)- | C6F5MgBr | 4-(AMINOMETHYL)BENZENEBORONICACID | 2,3,4,5,6-Pentafluorophenylmagnesium bromide, 0.5 M in THF | magnesiu

Storage

Room temperature

개요

Application

Employed in the synthesis of novel arsonic and arsinic acids as ligands for potential transition-metal ion extractants, and in the synthesis of polyfluoroaryl alkyl sulfides.

Specifications

동의어

SCHEMBL1446910 | DTXSID1075438 | AXQVMJIDNDRSFM-UHFFFAOYSA-M | pentafluorophenyl magnesiumbromide | Magnesium, bromo(pentafluorophenyl)- | C6F5MgBr | 4-(AMINOMETHYL)BENZENEBORONICACID | 2,3,4,5,6-Pentafluorophenylmagnesium bromide, 0.5 M in THF | magnesiu

사양 및 순도

0.5 M in diethyl ether

보관 조건

Room temperature

이름과 식별자

• 정식 스마일: [C-]1=C(C(=C(C(=C1F)F)F)F)F.[Mg+2].[Br-]
• IUPAC Name: magnesium;1,2,3,4,5-pentafluorobenzene-6-ide;bromide
• InChIKey: AMQDBUIQKQUCKY-UHFFFAOYSA-M
• INCHI: 1S/C6F5.BrH.Mg/c7-2-1-3(8)5(10)6(11)4(2)9;;/h;1H;/q-1;;+2/p-1
• 이성체 SMILES: [C-]1=C(C(=C(C(=C1F)F)F)F)F.[Mg+2].[Br-]
• WGK 독일: 3
• PubChem CID: 3319152
• 분자량: 271.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Halobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Fluorobenzenes
• Alternative Parents: Aryl fluorides Organic metal halides Organic metal bromide salts Organofluorides Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Fluorobenzene - Aryl halide - Aryl fluoride - Organic metal halide - Organic metal bromide salt - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organofluoride - Organohalogen compound - Organic cation - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to 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

화학 및 물리적 특성

• 발화점(°F): -40 °F
• 발화점(°C): -40 °C
• 녹는점(°C): 34.6℃
• 분자량: 271.270 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 269.895 Da
• Monoisotopic Mass: 269.895 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 266.000
• 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: 3

XLogP3

자주 묻는 질문

How should this product be stored?

Store at room temperature.

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

The CAS Number is 879-05-0, the molecular formula is C6F5MgBr, and the molecular weight is 271.27 g/mol. InChIKey AMQDBUIQKQUCKY-UHFFFAOYSA-M.

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.