3,4-difluoro-2-methyl-phenol - ≥97% , CAS No.1232774-26-3

CAS: 1232774-26-3 Cat. No.: D637488 Formula: C₇H₆OF₂ Molecular Weight: 144.12 PubChem CID: 20579025

GRADE & PURITY ≥97%

Synonyms

3,4-difluoro-2-methylphenol | 1232774-26-3 | MFCD22208539 | SCHEMBL12582798 | SY285101 | E92173 | EN300-7200829 | Z1486007785

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

3,4-difluoro-2-methylphenol | 1232774-26-3 | MFCD22208539 | SCHEMBL12582798 | SY285101 | E92173 | EN300-7200829 | Z1486007785

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC1=C(C=CC(=C1F)F)O
• IUPAC Name: 3,4-difluoro-2-methylphenol
• InChIKey: BOYQCJIIDRSQLZ-UHFFFAOYSA-N
• INCHI: 1S/C7H6F2O/c1-4-6(10)3-2-5(8)7(4)9/h2-3,10H,1H3
• Isomeric SMILES: CC1=C(C=CC(=C1F)F)O
• PubChem CID: 20579025
• Molecular Weight: 144.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenols
      • Subclass Cresols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenols
• Subclass: Cresols
• Intermediate Tree Nodes: Not available
• Direct Parent: Ortho cresols
• Alternative Parents: P-fluorophenols M-fluorophenols Toluenes Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Organooxygen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 4-halophenol - 3-halophenol - 3-fluorophenol - O-cresol - 4-fluorophenol - Fluorobenzene - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Aryl halide - Aryl fluoride - Monocyclic benzene moiety - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organofluoride - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as ortho cresols. These are organic compounds containing an ortho-cresol moiety, which consists of a benzene bearing one hydroxyl group at ring positions 1 and 2, respectively.
• 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

• Molecular Weight: 144.120 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 144.039 Da
• Monoisotopic Mass: 144.039 Da
• Topological Polar Surface Area: 20.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 118.000
• 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

Frequently Asked Questions

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 1232774-26-3, the molecular formula is C7H6OF2, and the molecular weight is 144.12 g/mol. InChIKey BOYQCJIIDRSQLZ-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.