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

CAS: 104-95-0 Cat. No.: B101844 Formule: BrC₆H₄SCH₃ Poids moléculaire: 203.1 Beilstein Registry Number: 6330 Numéro CE: 203-255-8

QUALITÉ & PURETÉ ≥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

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

4-Bromothioanisole undergoes Heck olefination reaction with styrenes to yield stilbenes

Spécifications

Synonymes

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 Afficher plus

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

508809634

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

CSC1=CC=C(C=C1)Br

WGK Allemagne

3

Numéro ONU

3335

Poids moléculaire

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
    • Classe Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Stench、air sensitive
• Point d'éclair (°F): 235.4 °F
• Point d'éclair (°C): 113 °C
• Point d'ébullition (°C): 128-130°C/10mmHg
• Point de fusion (°C): 36-40°C
• Poids moléculaire: 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