2,3-Difluoroanisole - ≥97% , CAS No.134364-69-5

CAS: 134364-69-5 Cat. No.: D115511 Fórmula: C₇H₆F₂O Peso molecular: 144.12 Número CE: 603-810-8

GRADE & PURITY ≥97%

Synonyms

1,2-difluoro-3-methoxybenzene | 1,2-difluoro-3-methoxy-benzene | difluro-methoxybenzen | PS-8978 | RDOGTTNFVLSBKG-UHFFFAOYSA-N | A19862 | FT-0643218 | InChI=1/C7H6F2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3 | 2,3-Difluoroanisole | D3359 | MFCD01631562 | 2, 3-di

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

1,2-difluoro-3-methoxybenzene | 1,2-difluoro-3-methoxy-benzene | difluro-methoxybenzen | PS-8978 | RDOGTTNFVLSBKG-UHFFFAOYSA-N | A19862 | FT-0643218 | InChI=1/C7H6F2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3 | 2,3-Difluoroanisole | D3359 | MFCD01631562 | 2, 3-di

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

504761772

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761772

Sorrisos canónicos

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

IUPAC Name

1,2-difluoro-3-methoxybenzene

InChIKey

RDOGTTNFVLSBKG-UHFFFAOYSA-N

INCHI

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

SMILES isoméricas

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

Peso molecular

144.12

Reaxy-Rn

6385942

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6385942&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Índice de refração: 1.47
• Ponto de inflamação (°C): 47 °C
• Peso molecular: 144.120 g/mol
• XLogP3: 2.200
• 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