2-(4-Chlorophenylthio)benzaldehyde - ≥98% , CAS No.107572-07-6

CAS: 107572-07-6 Cat. No.: B598525 Formule: C₁₃H₉ClOS Poids moléculaire: 248.72

GRADE & PURITY ≥98%

Synonyms

Benzaldehyde,2-[(4-chlorophenyl)thio]- | A801727 | DTXSID10381034 | SCHEMBL2271692 | STL353615 | SB85382 | 2-[(4-Chlorophenyl)thio]benzaldehyde | 2-((4-chlorophenyl)thio)benzaldehyde | 2-(4-chlorophenyl)sulfanylbenzaldehyde | W-204643 | PS-11159 | 2-[(4-c

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonymes

Benzaldehyde,2-[(4-chlorophenyl)thio]- | A801727 | DTXSID10381034 | SCHEMBL2271692 | STL353615 | SB85382 | 2-[(4-Chlorophenyl)thio]benzaldehyde | 2-((4-chlorophenyl)thio)benzaldehyde | 2-(4-chlorophenyl)sulfanylbenzaldehyde | W-204643 | PS-11159 | 2-[(4-c

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Sourires canoniques: C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl
• IUPAC Name: 2-(4-chlorophenyl)sulfanylbenzaldehyde
• InChIKey: CQKLAEUCMKGSEQ-UHFFFAOYSA-N
• INCHI: 1S/C13H9ClOS/c14-11-5-7-12(8-6-11)16-13-4-2-1-3-10(13)9-15/h1-9H
• Isomères SMILES: C1=CC=C(C(=C1)C=O)SC2=CC=C(C=C2)Cl
• Poids moléculaire: 248.72
• Reaxy-Rn: 5810711
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5810711&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylthioethers
• Alternative Parents: Thiophenol ethers Benzoyl derivatives Benzaldehydes Chlorobenzenes Vinylogous thioesters Aryl chlorides Sulfenyl compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Benzaldehyde - Benzoyl - Thiophenol ether - Chlorobenzene - Halobenzene - Aryl-aldehyde - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Sulfenyl compound - Hydrocarbon derivative - Organic oxide - Aldehyde - Organohalogen compound - Organochloride - Organooxygen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
• 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

Propriétés chimiques et physiques

• Sensibilité: Air sensitive
• Point d'ébullition (°C): 102-104°/14mm
• Point de fusion (°C): 73.8-75.4°C
• Poids moléculaire: 248.730 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 248.006 Da
• Monoisotopic Mass: 248.006 Da
• Topological Polar Surface Area: 42.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 226.000
• 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

Foire aux questions

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 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 107572-07-6, the molecular formula is C13H9ClOS, and the molecular weight is 248.72 g/mol. InChIKey CQKLAEUCMKGSEQ-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.