3-Chloro-2-fluorophenol - ≥97% , CAS No.2613-22-1

CAS: 2613-22-1 Cat. No.: C122586 Molecular Weight: 146.55 EC Number: 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

Normal

Overview

Application：

3-Chloro-2-fluorophenol are employed in the preparation of resins, dyes, explosives, lubricants, and plastics. Also they are are endowed with antioxidant property and are used as antioxidants in many formulations such as pharmaceuticals, cosmetics, electrical transformer oil, solvents, and organic reactions.

Specifications

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

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504761847
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504761847
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=C(C(=C1)Cl)F)O
• Molecular Weight: 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
    • Class Phenols
      • Subclass Halophenols
        • Level5 Fluorophenols
          • Level6 O-fluorophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Chemical and Physical Properties

• Boil Point(°C): 190°C
• Melt Point(°C): 34-38°C
• Molecular Weight: 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