3-Chloro-4-fluorophenol - ≥98% , CAS No.2613-23-2

CAS: 2613-23-2 Cat. No.: C120812 分子式: C₆H₄ClFO 分子量: 146.55 Beilstein Registry Number: 3236443 EC番号: 220-042-5

GRADE & PURITY ≥98%

Synonyms

AKOS000119338 | MFCD00002257 | 3-chloro-4-luorophenol | EINECS 220-042-5 | FT-0615395 | Z104477690 | InChI=1/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9 | 3-Chloro-4-fluorophenol | 3-chloro-4-fluoro-phenol | 3-chloro4-fluorophenol | AM61417 | 3-Chloro-4-fluoroph

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

AKOS000119338 | MFCD00002257 | 3-chloro-4-luorophenol | EINECS 220-042-5 | FT-0615395 | Z104477690 | InChI=1/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9 | 3-Chloro-4-fluorophenol | 3-chloro-4-fluoro-phenol | 3-chloro4-fluorophenol | AM61417 | 3-Chloro-4-fluoroph

仕様と純度

≥98%

保管条件

Store at 2-8°C

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

≥98%

名前と識別子

パブケム・シド

504754992

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504754992

カノニカル・スマイル

C1=CC(=C(C=C1O)Cl)F

IUPAC Name

3-chloro-4-fluorophenol

InChIKey

ZQXLIXHVJVAPLW-UHFFFAOYSA-N

INCHI

1S/C6H4ClFO/c7-5-3-4(9)1-2-6(5)8/h1-3,9H

異性体SMILES

C1=CC(=C(C=C1O)Cl)F

WGKドイツ

3

分子量

146.55

Beilstein

3236443

Reaxy-Rn

3236443

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3236443&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: M-chlorophenols Fluorobenzenes Chlorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-fluorophenol - 3-chlorophenol - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organofluoride - Organohalogen compound - Organochloride - 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

• 引火点（°F）: 228.2 °F
• 引火点（°C）: 108°(226°F)
• 沸点（°C）: 103-104°C/11mmHg
• 融点（°C）: 38-43°C
• 分子量: 146.540 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 145.993 Da
• Monoisotopic Mass: 145.993 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 99.100
• 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

よくある質問

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 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2613-23-2, the molecular formula is C6H4ClFO, and the molecular weight is 146.55 g/mol. InChIKey ZQXLIXHVJVAPLW-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.