4-Bromothiophenol - ≥97% , CAS No.106-53-6

CAS: 106-53-6 Cat. No.: B101773 Fórmula: BrC₆H₄SH Peso molecular: 189.07 Beilstein Registry Number: 507031 Número EC: 203-407-3

CALIDAD & PUREZA ≥97%

Synonyms

InChI=1/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H | NSC229563 | NSC-229563 | 4-bromo thiophenol | 4-bromophenylthiol | B1385 | STR00881 | 4-Bromothiophenol, 95% | MFCD00004845 | Benzenethiol, 4-bromo- | 2XE | 4-Bromobenzenethiol | 4-Bromo-benzenethiol | 4bromo-b

Storage

Room temperature,Argon charged

Shipped In

Normal

Especificaciones

Sinónimos

InChI=1/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H | NSC229563 | NSC-229563 | 4-bromo thiophenol | 4-bromophenylthiol | B1385 | STR00881 | 4-Bromothiophenol, 95% | MFCD00004845 | Benzenethiol, 4-bromo- | 2XE | 4-Bromobenzenethiol | 4-Bromo-benzenethiol | 4bromo-b

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Pubchem Sid

488183715

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488183715

Sonrisas canónicas

C1=CC(=CC=C1S)Br

IUPAC Name

4-bromobenzenethiol

InChIKey

FTBCOQFMQSTCQQ-UHFFFAOYSA-N

INCHI

1S/C6H5BrS/c7-5-1-3-6(8)4-2-5/h1-4,8H

Isómeros SMILES

C1=CC(=CC=C1S)Br

WGK Alemania

3

Número ONU

3335

Peso molecular

189.07

Beilstein

507031

Reaxy-Rn

507031

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507031&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Thiophenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Thiophenols
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Thiophenols
• Alternative Parents: Bromobenzenes Aryl bromides Thiols Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Thiophenol - Halobenzene - Bromobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in methanol
• Sensibilidad: Air sensitive.
• Punto de ebullición (°C): 239°C
• Punto de fusión (°C): 73-76°C
• Peso molecular: 189.070 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 187.93 Da
• Monoisotopic Mass: 187.93 Da
• Topological Polar Surface Area: 1.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 66.900
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 106-53-6, the molecular formula is BrC6H4SH, and the molecular weight is 189.07 g/mol. InChIKey FTBCOQFMQSTCQQ-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.