4-Fluorophenol - ≥99% , CAS No.371-41-5

CAS: 371-41-5 Cat. No.: F107127 分子式: C₆H₅OF 分子量: 112.1 Beilstein Registry Number: 1362752 EC番号: 206-736-0

GRADE & PURITY ≥99%

Synonyms

CCG-302492 | 4-06-00-00773 (Beilstein Handbook Reference) | 4fluorophenol | 4-FLUOROPHENOL | 4-Fluoro-phenol | p-Fluorophenol | p-fluoro-phenol | UNII-K6DT6TR5E5 | 4-HYDROXYPHENYL FLUORIDE | 4fluoro phenol | 4-fluoro phenol | AKOS000119023 | 1219804-93-9

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

同義語

CCG-302492 | 4-06-00-00773 (Beilstein Handbook Reference) | 4fluorophenol | 4-FLUOROPHENOL | 4-Fluoro-phenol | p-Fluorophenol | p-fluoro-phenol | UNII-K6DT6TR5E5 | 4-HYDROXYPHENYL FLUORIDE | 4fluoro phenol | 4-fluoro phenol | AKOS000119023 | 1219804-93-9

仕様と純度

≥99%

保管条件

Store at 2-8°C,Argon charged

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥99%

名前と識別子

パブケム・シド

504751861

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751861

カノニカル・スマイル

C1=CC(=CC=C1O)F

IUPAC Name

4-fluorophenol

InChIKey

RHMPLDJJXGPMEX-UHFFFAOYSA-N

INCHI

1S/C6H5FO/c7-5-1-3-6(8)4-2-5/h1-4,8H

異性体SMILES

C1=CC(=CC=C1O)F

WGKドイツ

1

RTECS

SL4550000

UN番号

2928

分子量

112.1

Beilstein

1362752

Reaxy-Rn

1362752

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1362752&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 P-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: P-fluorophenols
• Alternative Parents: Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as p-fluorophenols. These are fluorophenols carrying a iodine at the C4 position of the 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

化学的性質と物理的性質

• 溶解度: Soluble in water (80 mg/ml at 20°C), methylene dichloride, chloroform and methanol
• 感度: Air sensitive
• 引火点（°F）: 154.4 °F
• 引火点（°C）: 68℃
• 沸点（°C）: 185°C
• 融点（°C）: 44-49°C
• 分子量: 112.100 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 112.032 Da
• Monoisotopic Mass: 112.032 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• 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