3-(2-Fluorophenoxy)benzyl Bromide - ≥95% , CAS No.242812-04-0

CAS: 242812-04-0 Cat. No.: B300628 Formula: C₁₃H₁₀BrFO Peso molecolare: 281.13 Numero EC: 670-969-8

GRADE & PURITY ≥95%

Synonyms

A877973 | MFCD00059914 | 3'-Bromomethyl-2-fluorodiphenyl Ether; | DTXSID40372076 | 1-(bromomethyl)-3-(2-fluorophenoxy)benzene | PS-9873 | 3'-Bromomethyl-2-fluorodiphenyl Ether | SCHEMBL1191537 | FWAHWPGVFDHNCH-UHFFFAOYSA-N | FT-0706534 | F0236 | 3-Methyl-

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

A877973 | MFCD00059914 | 3'-Bromomethyl-2-fluorodiphenyl Ether; | DTXSID40372076 | 1-(bromomethyl)-3-(2-fluorophenoxy)benzene | PS-9873 | 3'-Bromomethyl-2-fluorodiphenyl Ether | SCHEMBL1191537 | FWAHWPGVFDHNCH-UHFFFAOYSA-N | FT-0706534 | F0236 | 3-Methyl-

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488192897
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192897
• Sorrisi canonici: C1=CC=C(C(=C1)OC2=CC=CC(=C2)CBr)F
• IUPAC Name: 1-(bromomethyl)-3-(2-fluorophenoxy)benzene
• InChIKey: FWAHWPGVFDHNCH-UHFFFAOYSA-N
• INCHI: 1S/C13H10BrFO/c14-9-10-4-3-5-11(8-10)16-13-7-2-1-6-12(13)15/h1-8H,9H2
• Isomeri SMILES: C1=CC=C(C(=C1)OC2=CC=CC(=C2)CBr)F
• Peso molecolare: 281.13
• Reaxy-Rn: 19195284
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19195284&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Benzyl bromides Fluorobenzenes Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Benzyl bromide - Benzyl halide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Ether - Alkyl halide - Organooxygen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Proprietà chimiche e fisiche

• Sensibilità: Heat sensitive
• Peso molecolare: 281.120 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 279.99 Da
• Monoisotopic Mass: 279.99 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 212.000
• 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