Pentafluoroanisole - ≥98%(GC) , CAS No.389-40-2

CAS: 389-40-2 Cat. No.: P160659 Fórmula: C₇H₃F₅O Peso molecular: 198.09 Número CE: 206-866-8 PubChem CID: 67849

GRAU & PUREZA ≥98%(GC)

Synonyms

EINECS 206-866-8 | Pentafluoromethoxybenzene | Benzene, 1,2,3,4,5-pentafluoro-6-methoxy- | AKOS006222495 | 2,4,5,6-Pentafluoroanisole | Anisole,3,4,5,6-pentafluoro- | Anisole, 2,3,4,5,6-pentafluoro- | 6MCA96C92G | PS-10099 | 1,2,3,4,5-Pentafluoro-6-methox

Storage

Argon charged,Room temperature

Shipped In

Normal

Especificações

Sinónimos

EINECS 206-866-8 | Pentafluoromethoxybenzene | Benzene, 1,2,3,4,5-pentafluoro-6-methoxy- | AKOS006222495 | 2,4,5,6-Pentafluoroanisole | Anisole,3,4,5,6-pentafluoro- | Anisole, 2,3,4,5,6-pentafluoro- | 6MCA96C92G | PS-10099 | 1,2,3,4,5-Pentafluoro-6-methox

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Argon charged,Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

Pubchem Sid

488184022

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488184022

Sorrisos canónicos

COC1=C(C(=C(C(=C1F)F)F)F)F

IUPAC Name

1,2,3,4,5-pentafluoro-6-methoxybenzene

InChIKey

ZRQUIRABLIQJRI-UHFFFAOYSA-N

INCHI

1S/C7H3F5O/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h1H3

SMILES isoméricas

COC1=C(C(=C(C(=C1F)F)F)F)F

PubChem CID

67849

Número UN

1993

Grupo de embalagem

III

Peso molecular

198.09

Reaxy-Rn

2052664

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

• Sensibilidade: Air sensitive
• Índice de refração: 1.41
• Ponto de inflamação (°F): 32°C(lit.)
• Ponto de inflamação (°C): 32°C
• Ponto de ebulição (°C): 138°C
• Peso molecular: 198.090 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 198.01 Da
• Monoisotopic Mass: 198.01 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 162.000
• 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

Perguntas frequentes

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

This product is supplied at ≥98% 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 under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 389-40-2, the molecular formula is C7H3F5O, and the molecular weight is 198.09 g/mol. InChIKey ZRQUIRABLIQJRI-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.