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

CAS: 33733-73-2 Cat. No.: B101842 分子式: BrC₆H₄SCH₃ 分子量: 203.1 EC番号: 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

概要

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

同義語

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

仕様と純度

≥98%

保管条件

Room temperature

入荷

Normal

純度

≥98%

名前と識別子

パブケム・シド

488192743

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488192743

カノニカル・スマイル

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

異性体SMILES

CSC1=CC(=CC=C1)Br

WGKドイツ

3

分子量

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
    • 分類 Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 屈折率: 1.628
• 引火点（°F）: 230 °F
• 引火点（°C）: 110 °C
• 沸点（°C）: 124-125°C/10mmHg
• 分子量: 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

よくある質問

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.