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

CAS: 57264-49-0 Cat. No.: F357169 분자식: C₉H₉FO 분자량: 152.16 EC 번호: 876-721-7

등급 & 순도 ≥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

사양

동의어

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

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

528756466

정식 스마일

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

이성체 SMILES

C=CCOC1=CC=CC=C1F

분자량

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
    • 분류 Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: n20D1.49 (Predicted)
• 끓는점(°C): 36-39° C at 0.1 mmHg
• 녹는점(°C): -13.71° C (Predicted)
• 분자량: 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