3-クロロ-2-フルオロフェノール - ≥97% , CAS No.2613-22-1

CAS: 2613-22-1 Cat. No.: C122586 分子式: C₆H₄ClFO 分子量: 146.55 EC番号: 670-688-0

GRADE & PURITY ≥97%

Synonyms

J-016269 | 2-fluoro-3-chloro-phenol | 3-Chloro-2-fluorophenol | 3-Chloro-2-fluoro-phenol | PS-8943 | A19857 | SCHEMBL912023 | Phenol, 3-chloro-2-fluoro- | FT-0656160 | SY023176 | 4-VINYL-13-DIOXOLAN-2-ONE99 | BBL102698 | AC-3772 | STL556503 | EN300-106502

Storage

Room temperature

Shipped In

ノーマル

概要

用途

3-クロロ-2-フルオロフェノールは、樹脂、染料、火薬、潤滑油、プラスチックの調製に使用される。また、3-クロロ-2-フルオロフェノールは酸化防止剤として、医薬品、化粧品、変圧器油、溶剤、有機反応など多くの製剤に使用されている。

Specifications

同義語

J-016269 | 2-fluoro-3-chloro-phenol | 3-Chloro-2-fluorophenol | 3-Chloro-2-fluoro-phenol | PS-8943 | A19857 | SCHEMBL912023 | Phenol, 3-chloro-2-fluoro- | FT-0656160 | SY023176 | 4-VINYL-13-DIOXOLAN-2-ONE99 | BBL102698 | AC-3772 | STL556503 | EN300-106502

仕様と純度

≥97%

保管条件

Room temperature

入荷

ノーマル

純度

≥97%

名前と識別子

• パブケム・シド: 504761847
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504761847
• カノニカル・スマイル: C1=CC(=C(C(=C1)Cl)F)O
• IUPAC Name: 3-chloro-2-fluorophenol
• InChIKey: PCHPYNHSMSAJEU-UHFFFAOYSA-N
• INCHI: 1S/C6H4ClFO/c7-4-2-1-3-5(9)6(4)8/h1-3,9H
• 異性体SMILES: C1=CC(=C(C(=C1)Cl)F)O
• 分子量: 146.55
• Reaxy-Rn: 3237510
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3237510&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Phenols
• Subclass: Halophenols
• Intermediate Tree Nodes: Fluorophenols
• Direct Parent: O-fluorophenols
• Alternative Parents: M-chlorophenols Fluorobenzenes Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Aryl chlorides Organooxygen compounds Organofluorides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 3-chlorophenol - 2-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - 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 - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as o-fluorophenols. These are fluorophenols carrying a iodine at the C2 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

• 沸点（°C）: 190°C
• 融点（°C）: 34-38°C
• 分子量: 146.540 g/mol
• XLogP3: 2.300
• 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 ≥97% 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 2613-22-1, the molecular formula is C6H4ClFO, and the molecular weight is 146.55 g/mol. InChIKey PCHPYNHSMSAJEU-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.