4-Bromthioanisol - ≥98% , CAS No.104-95-0

CAS: 104-95-0 Cat. No.: B101844 Summenformel: BrC₆H₄SCH₃ Molekulargewicht: 203.1 Beilstein Registry Number: 6330 EG-Nummer: 203-255-8

QUALITÄT & REINHEIT ≥98%

Synonyms

1-Bromo-4-(methylsulfanyl)benzene|4-Bromophenyl methyl sulphide|4-Bromo(methylthio)benzene|p-Bromothioanisole|1-Bromo-4-(methylsulfanyl)benzene #|1-bromo-4-methylsulfanylbenzene|1-Bromo-4-(methylthio)benzene|p-Bromophenyl methyl sulfide|Methyl 4-bromophenylsulfide|4-Bromothioanisole|Benzene, 1-bromo-4-(methylthio)-|1-bromo-4-methylsulfanyl benzene|p-Bromo(methylthio)benzene|1-bromanyl-4-methylsulfanyl-benzene|4-Bromophenyl methyl sulfide|Sulfide, p-bromophenyl methyl|4-(METHYLTHIO)BROMOBENZENE|p-(Methylthio)phenyl bromide|4-bromo thioanisole

Storage

Lagerung bei 2-8°C, Argon geladen

Shipped In

Nasses Eis

Übersicht

4-Bromothioanisol durchläuft eine Heck-Olefinierungsreaktion mit Styrolen zur Bildung von Stilbenen

Spezifikationen

Synonyme

1-Bromo-4-(methylsulfanyl)benzene | 4-Bromophenyl methyl sulphide | 4-Bromo(methylthio)benzene | p-Bromothioanisole | 1-Bromo-4-(methylsulfanyl)benzene # | 1-bromo-4-methylsulfanylbenzene | 1-Bromo-4-(methylthio)benzene | p-Bromophenyl methyl sulfide | Methyl 4-bromophenylsulfide | 4-Bromothioanisole | Benzene, 1-bromo-4-(methylthio)- | 1 Show more

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C, Argon geladen

Verschickt in

Nasses Eis

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

508809634

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809634

Kanonisches Lächeln

CSC1=CC=C(C=C1)Br

IUPAC Name

1-bromo-4-methylsulfanylbenzene

InChIKey

YEUYZNNBXLMFCW-UHFFFAOYSA-N

INCHI

1S/C7H7BrS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3

Isomere SMILES

CSC1=CC=C(C=C1)Br

WGK Deutschland

3

UN-Nummer

3335

Molekulargewicht

203.1

Beilstein

6330

Reaxy-Rn

1906693

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1906693&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Klasse: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Thiophenol ethers Bromobenzenes Alkylarylthioethers Aryl bromides Sulfenyl compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aryl thioether - Thiophenol ether - Alkylarylthioether - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Sulfenyl compound - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

• Empfindlichkeit: Stench、air sensitive
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 113 °C
• Siedepunkt (°C): 128-130°C/10mmHg
• Schmelzpunkt (°C): 36-40°C
• Molekulargewicht: 203.100 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 201.945 Da
• Monoisotopic Mass: 201.945 Da
• Topological Polar Surface Area: 25.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 77.000
• 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