2-(Difluoromethoxy)phenol - ≥98% , CAS No.53104-96-4

CAS: 53104-96-4 Cat. No.: D193780 Formula: C₇H₆F₂O₂ Peso molecolare: 160.12 Numero EC: 871-355-4

GRADE & PURITY ≥98%

Synonyms

DTXSID60378893 | DS-5125 | A870818 | FVSDAKIYKHNXDC-UHFFFAOYSA-N | 2-(difluoromethoxy)phenol | difluoromethoxyphenol | FT-0600210 | SCHEMBL363528 | AKOS008105149 | 2-(DIFLUOROMETHOXY)PHENOL 98 | Z381415218 | 2-(DIFLUOROMETHOXY)PHENOL98 | MFCD00236234 | SB

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

DTXSID60378893 | DS-5125 | A870818 | FVSDAKIYKHNXDC-UHFFFAOYSA-N | 2-(difluoromethoxy)phenol | difluoromethoxyphenol | FT-0600210 | SCHEMBL363528 | AKOS008105149 | 2-(DIFLUOROMETHOXY)PHENOL 98 | Z381415218 | 2-(DIFLUOROMETHOXY)PHENOL98 | MFCD00236234 | SB

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C(=C1)O)OC(F)F
• IUPAC Name: 2-(difluoromethoxy)phenol
• InChIKey: PVNTURWWDZNXTK-UHFFFAOYSA-N
• INCHI: 1S/C7H6F2O2/c8-7(9)11-6-4-2-1-3-5(6)10/h1-4,7,10H
• Isomeri SMILES: C1=CC=C(C(=C1)O)OC(F)F
• Peso molecolare: 160.12
• Reaxy-Rn: 1868242
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1868242&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenol ethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenol ethers
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenol ethers
• Alternative Parents: Phenoxy compounds 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
• 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

Proprietà chimiche e fisiche

• Peso molecolare: 160.120 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 160.034 Da
• Monoisotopic Mass: 160.034 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% 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 53104-96-4, the molecular formula is C7H6F2O2, and the molecular weight is 160.12 g/mol. InChIKey PVNTURWWDZNXTK-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.