2,3-Difluoro-4-methylphenol - ≥95% , CAS No.261763-45-5

CAS: 261763-45-5 Cat. No.: D183250 Summenformel: C₇H₆F₂O Molekulargewicht: 144.1 EG-Nummer: 670-742-3

GRADE & PURITY ≥95%

Synonyms

SY101223 | A877326 | MFCD01631651 | Phenol, 2,3-difluoro-4-methyl- | (2-AMINO-5-FLUORO-PHENYL)-CARBAMICACIDTERT-BUTYLESTER | AKOS006227590 | STL556481 | BBL102677 | DTXSID60378914 | Phenol,2,3-difluoro-4-methyl-(9ci) | 2,3-difluoro-4-methyl phenol | EN300

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

SY101223 | A877326 | MFCD01631651 | Phenol, 2,3-difluoro-4-methyl- | (2-AMINO-5-FLUORO-PHENYL)-CARBAMICACIDTERT-BUTYLESTER | AKOS006227590 | STL556481 | BBL102677 | DTXSID60378914 | Phenol,2,3-difluoro-4-methyl-(9ci) | 2,3-difluoro-4-methyl phenol | EN300

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

CC1=C(C(=C(C=C1)O)F)F

IUPAC Name

2,3-difluoro-4-methylphenol

InChIKey

NVYIUITYVMVHJM-UHFFFAOYSA-N

INCHI

1S/C7H6F2O/c1-4-2-3-5(10)7(9)6(4)8/h2-3,10H,1H3

Isomere SMILES

CC1=C(C(=C(C=C1)O)F)F

Molekulargewicht

144.1

Reaxy-Rn

13859493

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13859493&ln=

Taxonomic Classification

Taxonomy Tree

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

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥95% 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 261763-45-5, the molecular formula is C7H6F2O, and the molecular weight is 144.1 g/mol. InChIKey NVYIUITYVMVHJM-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.