3-Bromothioanisole - ≥98% , CAS No.33733-73-2

CAS: 33733-73-2 Cat. No.: B101842 Formula: BrC₆H₄SCH₃ Peso molecolare: 203.1 Numero EC: 608-901-6

GRADE & PURITY ≥98%

Synonyms

1-bromo-3-(methylsulfanyl)benzene | 3-Bromothioanisole | NKYFJZAKUPSUSH-UHFFFAOYSA-N | SCHEMBL513927 | 3-bromo thioanisole | 3-Bromophenyl methyl sulfide | DTXSID80187409 | 3-Bromothioanisol | 1-bromo-3-methylsulphanyl-benzene | (3-bromophenyl)(methyl)sul

Storage

Room temperature

Shipped In

Normal

Panoramica

General description：

3-Bromothioanisole is a 3-halothioanisole derivative that is mainly used in the preparation of photoacids. It can be prepared from 3-bromobenzenethiol.、

application：

3-Bromothioanisole may be used in the preparation of: 3-methylthiotriphenylamine; 4-ethoxy-3′-methylthiostilbene; 3-bromophenyl phenyl sulfide; 9-substituted, 3,6-dithiomethylfluorenes; 4-methoxy-3′-(methylthio)-1,1′-biphenyl.

Specifications

Sinonimi

1-bromo-3-(methylsulfanyl)benzene | 3-Bromothioanisole | NKYFJZAKUPSUSH-UHFFFAOYSA-N | SCHEMBL513927 | 3-bromo thioanisole | 3-Bromophenyl methyl sulfide | DTXSID80187409 | 3-Bromothioanisol | 1-bromo-3-methylsulphanyl-benzene | (3-bromophenyl)(methyl)sul

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

• Pubchem Sid: 488192743
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192743
• Sorrisi canonici: CSC1=CC(=CC=C1)Br
• IUPAC Name: 1-bromo-3-methylsulfanylbenzene
• InChIKey: NKYFJZAKUPSUSH-UHFFFAOYSA-N
• INCHI: 1S/C7H7BrS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
• Isomeri SMILES: CSC1=CC(=CC=C1)Br
• WGK Germania: 3
• Peso molecolare: 203.1
• Reaxy-Rn: 2078598
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2078598&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
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.628
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): 110 °C
• Punto di ebollizione (°C): 124-125°C/10mmHg
• Peso molecolare: 203.100 g/mol
• XLogP3: 2.800
• 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: 85.000
• 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

Riferimenti

1. Jingfeng Li, Zhaoyi An, Junyang Sun, Chunyan Tan, Dan Gao, Ying Tan, Yuyang Jiang.  (2020)  Highly Selective Oxidation of Organic Sulfides by a Conjugated Polymer as the Photosensitizer for Singlet Oxygen Generation.  ACS Applied Materials & Interfaces,      [PMID:32658457] [10.1021/acsami.0c10162]

Domande frequenti

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 33733-73-2, the molecular formula is C7H7BrS, and the molecular weight is 203.1 g/mol. InChIKey NKYFJZAKUPSUSH-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.