3-Chlor-5-fluoranisol - ≥96% , CAS No.202925-08-4

CAS: 202925-08-4 Cat. No.: C153360 Summenformel: C₇H₆ClFO Molekulargewicht: 160.57 EG-Nummer: 606-506-3

QUALITÄT & REINHEIT ≥96%

Synonyms

Benzene, 1-chloro-3-fluoro-5-methoxy-|1-chloro-3-fluoro-5-methoxybenzene|1-CHLORO-3-FLUORO-5-METHOXY-BENZENE|3-Chloro-5-fluoroanisole

Storage

Room temperature

Shipped In

Normal

Übersicht

3-Chlor-5-fluoranisol wird auch als 1-Chlor-3-fluor-5-methoxybenzol (IUPAC-Bezeichnung) bezeichnet. Zwei isomere Rotationsformen, d. h. cis- und trans-Formen von 3-Chlor-5-fluoranisol (1-Chlor-3-fluor-5-methoxybenzol) wurden durch ab initio- und Dichtefunktionaltheorie (DFT)-Berechnungen identifiziert.

Spezifikationen

Synonyme

Benzene, 1-chloro-3-fluoro-5-methoxy- | 1-chloro-3-fluoro-5-methoxybenzene | 1-CHLORO-3-FLUORO-5-METHOXY-BENZENE | 3-Chloro-5-fluoroanisole

Spezifikationen & Reinheit

≥96%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

Pubchem Sid

504762033

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762033

Kanonisches Lächeln

COC1=CC(=CC(=C1)Cl)F

IUPAC Name

1-chloro-3-fluoro-5-methoxybenzene

InChIKey

XPZBNEWAZPZUHF-UHFFFAOYSA-N

INCHI

1S/C7H6ClFO/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

Isomere SMILES

COC1=CC(=CC(=C1)Cl)F

WGK Deutschland

3

Molekulargewicht

160.57

Reaxy-Rn

15427465

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15427465&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 Chlorobenzenes Alkyl aryl ethers Aryl fluorides Aryl chlorides Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organofluoride - Organochloride - 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

• Brechungsindex: 1.511
• Flammpunkt (°F): 174.2 °F
• Flammpunkt (°C): 79°C
• Siedepunkt (°C): 189 °C
• Molekulargewicht: 160.570 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.009 Da
• Monoisotopic Mass: 160.009 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 ≥96% 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 202925-08-4, the molecular formula is C7H6ClFO, and the molecular weight is 160.57 g/mol. InChIKey XPZBNEWAZPZUHF-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.