2,6-Difluorobenzyl bromide - ≥97% , CAS No.85118-00-9

CAS: 85118-00-9 Cat. No.: D101702 Summenformel: C₇H₅BrF₂ Molekulargewicht: 207.02 Beilstein Registry Number: 2083943 EG-Nummer: 285-652-6

GRADE & PURITY ≥97%

Synonyms

EN300-157269 | O,O-Methyleen-bis-(4-chloorfenol) | CB8000 | FNK4D2QCW3 | 2-(Bromomethyl)-1,3-difluorobenzene # | FT-0610651 | D2576 | alpha-Bromo-2,6-difluorotoluene | alpha-bromo-2,6-di-fluorotoluene | 2,6-diflourobenzyl bromide | CIW5S16655 | AKOS005259

Storage

Room temperature,Argon charged

Shipped In

Normal

Übersicht

2,6-Difluorobenzyl bromide has been used: as reagent in alkylation of the quinazoline-2-thioxo-4-one in the synthesis of 1,3,5-triazine-2,4,6-triones in the preparation of new classes of inhibitors of bovine viral diarrhea virus (as a surrogate virus for hepatitis C virus)

Specifications

Synonyme

EN300-157269 | O,O-Methyleen-bis-(4-chloorfenol) | CB8000 | FNK4D2QCW3 | 2-(Bromomethyl)-1,3-difluorobenzene # | FT-0610651 | D2576 | alpha-Bromo-2,6-difluorotoluene | alpha-bromo-2,6-di-fluorotoluene | 2,6-diflourobenzyl bromide | CIW5S16655 | AKOS005259

Spezifikationen & Reinheit

≥97%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504759354

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759354

Kanonisches Lächeln

C1=CC(=C(C(=C1)F)CBr)F

IUPAC Name

2-(bromomethyl)-1,3-difluorobenzene

InChIKey

LSXJPJGBWSZHTM-UHFFFAOYSA-N

INCHI

1S/C7H5BrF2/c8-4-5-6(9)2-1-3-7(5)10/h1-3H,4H2

Isomere SMILES

C1=CC(=C(C(=C1)F)CBr)F

WGK Deutschland

3

UN-Nummer

3261

Molekulargewicht

207.02

Beilstein

2083943

Reaxy-Rn

2083943

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2083943&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Benzyl halides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzyl halides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzyl bromides
• Alternative Parents: Fluorobenzenes Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzyl bromide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in methanol
• Empfindlichkeit: Moisture Sensitive
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 110°C
• Schmelzpunkt (°C): 52-55°C
• Molekulargewicht: 207.010 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 205.954 Da
• Monoisotopic Mass: 205.954 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 97.800
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 85118-00-9, the molecular formula is C7H5BrF2, and the molecular weight is 207.02 g/mol. InChIKey LSXJPJGBWSZHTM-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.