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

CAS: 77380-28-0 Cat. No.: D590149 Summenformel: C₆H₄F₂S Molekulargewicht: 146.15 EG-Nummer: 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

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

C1=CC(=C(C=C1F)S)F

Molekulargewicht

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
    • Klasse Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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

Häufig gestellte Fragen

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.