2,5-Difluorothiophenol - ≥95% , CAS No.77380-28-0

CAS: 77380-28-0 Cat. No.: D590149 Formula: C₆H₄F₂S Peso molecolare: 146.15 Numero EC: 860-175-1

GRADE & PURITY ≥95%

Synonyms

EN300-13809 | 2,5-Difluoro thiophenol | 2,5-difluorobenzene-1-thiol | J-507337 | 2,5-difluorobenzenethiol | 2,5-DIFLUOROTHIOPHENOL | 2,5-difluoro thiophenol, AldrichCPR | Benzenethiol,2,5-difluoro- | C13372 | SCHEMBL425322 | AKOS009031205 | PQRVQUXEBQKVEQ

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinonimi

EN300-13809 | 2,5-Difluoro thiophenol | 2,5-difluorobenzene-1-thiol | J-507337 | 2,5-difluorobenzenethiol | 2,5-DIFLUOROTHIOPHENOL | 2,5-difluoro thiophenol, AldrichCPR | Benzenethiol,2,5-difluoro- | C13372 | SCHEMBL425322 | AKOS009031205 | PQRVQUXEBQKVEQ

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature,Argon charged

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: C1=CC(=C(C=C1F)S)F
• IUPAC Name: 2,5-difluorobenzenethiol
• InChIKey: PQRVQUXEBQKVEQ-UHFFFAOYSA-N
• INCHI: 1S/C6H4F2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
• Isomeri SMILES: C1=CC(=C(C=C1F)S)F
• Peso molecolare: 146.15
• Reaxy-Rn: 4661668
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4661668&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Fluorobenzenes Aryl fluorides Thiols Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Halobenzene - Fluorobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
• 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: 146.160 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 146 Da
• Monoisotopic Mass: 146 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 97.100
• 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 ≥95% purity (chemical assay). 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 77380-28-0, the molecular formula is C6H4F2S, and the molecular weight is 146.15 g/mol. InChIKey PQRVQUXEBQKVEQ-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.