2-Bromo-6-fluoroanisole - ≥98% , CAS No.845829-94-9

CAS: 845829-94-9 Cat. No.: B186885 Summenformel: C₇H₆BrFO Molekulargewicht: 205 EG-Nummer: 801-554-3

GRADE & PURITY ≥98%

Synonyms

1-Bromo-3-fluoro-2-methoxybenzene | 1-bromo-3-fluoro-2-methoxy-benzene | 4-(3-AMINO-PROPYL)-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER | EN300-1895475 | AM61658 | MFCD04974125 | 2-bromo-6-fluoroanisol | CL8590 | RLSQPLJXDTXSCL-UHFFFAOYSA-N | AC-1588 | BBL

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Synonyme

1-Bromo-3-fluoro-2-methoxybenzene | 1-bromo-3-fluoro-2-methoxy-benzene | 4-(3-AMINO-PROPYL)-PIPERAZINE-1-CARBOXYLICACIDTERT-BUTYLESTER | EN300-1895475 | AM61658 | MFCD04974125 | 2-bromo-6-fluoroanisol | CL8590 | RLSQPLJXDTXSCL-UHFFFAOYSA-N | AC-1588 | BBL

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488199038

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488199038

Kanonisches Lächeln

COC1=C(C=CC=C1Br)F

IUPAC Name

1-bromo-3-fluoro-2-methoxybenzene

InChIKey

RLSQPLJXDTXSCL-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

COC1=C(C=CC=C1Br)F

Molekulargewicht

205

Reaxy-Rn

10654490

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10654490&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

• Empfindlichkeit: Light sensitive
• 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

Häufig gestellte Fragen

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 room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 845829-94-9, the molecular formula is C7H6BrFO, and the molecular weight is 205 g/mol. InChIKey RLSQPLJXDTXSCL-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.