Bis(4-bromophenyl) Sulfide - ≥98% , CAS No.3393-78-0

CAS: 3393-78-0 Cat. No.: B152477 Formule: C₁₂H₈Br₂S Poids moléculaire: 344.06 Numéro CE: 222-240-7

GRADE & PURITY ≥98%

Synonyms

4,4'-dibromodiphenylthioether | Bis(4-bromophenyl)sulphide | 1-bromo-4-(4-bromophenyl)sulfanylbenzene | Bis(4-Bromophenyl)sulfide | T70792 | DTXSID40871019 | A851259 | Benzene, 1,1'-thiobis[4-bromo- | Bis(4-bromophenyl) sulphide | Bis(4-bromophenyl) Sulfi

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4,4'-dibromodiphenylthioether | Bis(4-bromophenyl)sulphide | 1-bromo-4-(4-bromophenyl)sulfanylbenzene | Bis(4-Bromophenyl)sulfide | T70792 | DTXSID40871019 | A851259 | Benzene, 1,1'-thiobis[4-bromo- | Bis(4-bromophenyl) sulphide | Bis(4-bromophenyl) Sulfi

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504755120
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755120
• Sourires canoniques: C1=CC(=CC=C1SC2=CC=C(C=C2)Br)Br
• IUPAC Name: 1-bromo-4-(4-bromophenyl)sulfanylbenzene
• InChIKey: CLPVCAXOQZIJGW-UHFFFAOYSA-N
• INCHI: 1S/C12H8Br2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H
• Isomères SMILES: C1=CC(=CC=C1SC2=CC=C(C=C2)Br)Br
• RTECS: WP9900000
• Poids moléculaire: 344.06
• Reaxy-Rn: 2212559
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2212559&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 Bromobenzenes Aryl bromides Sulfenyl compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diarylthioether - Thiophenol ether - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Sulfenyl compound - Hydrocarbon derivative - Organobromide - Organohalogen 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

• Point d'ébullition (°C): 210 °C/3 mmHg
• Point de fusion (°C): 115 °C
• Poids moléculaire: 344.070 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 343.869 Da
• Monoisotopic Mass: 341.871 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 15
• 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

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.

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 3393-78-0, the molecular formula is C12H8Br2S, and the molecular weight is 344.06 g/mol. InChIKey CLPVCAXOQZIJGW-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.