3-Bromo-2-fluoroanisole - ≥95% , CAS No.295376-21-5

CAS: 295376-21-5 Cat. No.: B183493 Summenformel: C₇H₆BrFO Molekulargewicht: 205.02 EG-Nummer: 963-233-5

GRADE & PURITY ≥95%

Synonyms

Benzene, 1-bromo-2-fluoro-3-methoxy- | A19851 | SCHEMBL7101270 | EN300-157002 | 1-bromo-2-fluoro-3-methoxybenzene | 1-Bromo-2-fluoro-3-methoxy-benzene | AC-3759 | SY034466 | bromo-2-fluoroanisole | USVPQAWBFVANTN-UHFFFAOYSA-N | 3-Bromo-2-Fluoroanisole | 3

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

Benzene, 1-bromo-2-fluoro-3-methoxy- | A19851 | SCHEMBL7101270 | EN300-157002 | 1-bromo-2-fluoro-3-methoxybenzene | 1-Bromo-2-fluoro-3-methoxy-benzene | AC-3759 | SY034466 | bromo-2-fluoroanisole | USVPQAWBFVANTN-UHFFFAOYSA-N | 3-Bromo-2-Fluoroanisole | 3

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

488199735

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199735

Kanonisches Lächeln

COC1=C(C(=CC=C1)Br)F

IUPAC Name

1-bromo-2-fluoro-3-methoxybenzene

InChIKey

USVPQAWBFVANTN-UHFFFAOYSA-N

INCHI

1S/C7H6BrFO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3

Isomere SMILES

COC1=C(C(=CC=C1)Br)F

Molekulargewicht

205.02

Reaxy-Rn

20389603

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20389603&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Fluorobenzenes Bromobenzenes Alkyl aryl ethers Aryl fluorides Aryl bromides Organofluorides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Molekulargewicht: 205.020 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 203.959 Da
• Monoisotopic Mass: 203.959 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 110.000
• 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