2-Fluoroanisole - ≥98% , CAS No.321-28-8

CAS: 321-28-8 Cat. No.: F120586 Summenformel: C₇H₇FO Molekulargewicht: 126.13 Beilstein Registry Number: 1859755 EG-Nummer: 206-284-4

GRADE & PURITY ≥98%

Synonyms

W-106857 | 2-fluoroanisol | A801761 | Benzene, 1-fluoro-2-methoxy- | FT-0653963 | A19469 | o-Fluoroanisole | Anisole, o-fluoro- | FT-0612405 | EINECS 206-284-4 | Z54600290 | F0230 | KNH8R5Z674 | F0001-0959 | MFCD00000316 | UNII-KNH8R5Z674 | AKOS000120048

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

W-106857 | 2-fluoroanisol | A801761 | Benzene, 1-fluoro-2-methoxy- | FT-0653963 | A19469 | o-Fluoroanisole | Anisole, o-fluoro- | FT-0612405 | EINECS 206-284-4 | Z54600290 | F0230 | KNH8R5Z674 | F0001-0959 | MFCD00000316 | UNII-KNH8R5Z674 | AKOS000120048

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488183952

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183952

Kanonisches Lächeln

COC1=CC=CC=C1F

IUPAC Name

1-fluoro-2-methoxybenzene

InChIKey

JIXDOBAQOWOUPA-UHFFFAOYSA-N

INCHI

1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3

Isomere SMILES

COC1=CC=CC=C1F

WGK Deutschland

3

Molekulargewicht

126.13

Beilstein

1859755

Reaxy-Rn

1859755

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1859755&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 Alkyl aryl ethers Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organohalogen compound - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - 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

• Brechungsindex: 1.494
• Flammpunkt (°C): 53 °C - close cup
• Siedepunkt (°C): 154-155°C
• Schmelzpunkt (°C): -39°C
• Molekulargewicht: 126.130 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.048 Da
• Monoisotopic Mass: 126.048 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 85.000
• 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.

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 321-28-8, the molecular formula is C7H7FO, and the molecular weight is 126.13 g/mol. InChIKey JIXDOBAQOWOUPA-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.