3,4-Difluoroanisole - ≥97%(GC) , CAS No.115144-40-6

CAS: 115144-40-6 Cat. No.: D155764 Fórmula: C₇H₆F₂O Peso molecular: 144.12 Número EC: 601-348-1

GRADE & PURITY ≥97%(GC)

Synonyms

SCHEMBL254529 | FT-0602465 | D2856 | PHENYLPYRUVICACIDSODIUMSALTMONOHYDRATE | 3,4-Difluoro Anisole | Benzene, 1,2-difluoro-4-methoxy- | DTXSID60340878 | 1,2-difluoro-4-(methyloxy)benzene | AC-3791 | FT-0652308 | PS-8979 | J-511151 | BP-10872 | Difluoroben

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

SCHEMBL254529 | FT-0602465 | D2856 | PHENYLPYRUVICACIDSODIUMSALTMONOHYDRATE | 3,4-Difluoro Anisole | Benzene, 1,2-difluoro-4-methoxy- | DTXSID60340878 | 1,2-difluoro-4-(methyloxy)benzene | AC-3791 | FT-0652308 | PS-8979 | J-511151 | BP-10872 | Difluoroben

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

488190346

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190346

Sonrisas canónicas

COC1=CC(=C(C=C1)F)F

IUPAC Name

1,2-difluoro-4-methoxybenzene

InChIKey

DSEVNUCNUTYYHW-UHFFFAOYSA-N

INCHI

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

Isómeros SMILES

COC1=CC(=C(C=C1)F)F

Número ONU

1993

Grupo de embalaje

III

Peso molecular

144.12

Reaxy-Rn

6717610

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6717610&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organohalogen compound - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

Propiedades químicas y físicas

• Índice de refracción: 1.47
• Punto de inflamación (°C): 55°C(lit.)
• Peso molecular: 144.120 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.039 Da
• Monoisotopic Mass: 144.039 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 108.000
• 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

Preguntas frecuentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥97% purity, determined by gas chromatography (GC). 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 115144-40-6, the molecular formula is C7H6F2O, and the molecular weight is 144.12 g/mol. InChIKey DSEVNUCNUTYYHW-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.