2-Fluorophenyl allyl ether - ≥98% , CAS No.57264-49-0

CAS: 57264-49-0 Cat. No.: F357169 Formula: C₉H₉FO Molecular Weight: 152.16 EC Number: 876-721-7

GRADE & PURITY ≥98%

Synonyms

1-Fluoro-2-(prop-2-en-1-yloxy)benzene|1-fluoro-2-prop-2-enoxybenzene|1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

1-Fluoro-2-(prop-2-en-1-yloxy)benzene | 1-fluoro-2-prop-2-enoxybenzene | 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

528756466

Canonical Smiles

C=CCOC1=CC=CC=C1F

IUPAC Name

1-fluoro-2-prop-2-enoxybenzene

InChIKey

MABBMHBZKPIFFV-UHFFFAOYSA-N

INCHI

1S/C9H9FO/c1-2-7-11-9-6-4-3-5-8(9)10/h2-6H,1,7H2

Isomeric SMILES

C=CCOC1=CC=CC=C1F

Molecular Weight

152.16

Reaxy-Rn

5807223

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5807223&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - Halobenzene - Fluorobenzene - Alkyl aryl ether - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Chemical and Physical Properties

• Refractive Index: n20D1.49 (Predicted)
• Boil Point(°C): 36-39° C at 0.1 mmHg
• Melt Point(°C): -13.71° C (Predicted)
• Molecular Weight: 152.160 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 152.064 Da
• Monoisotopic Mass: 152.064 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 125.000
• 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