Benzeneselenol - ≥97% , CAS No.645-96-5

CAS: 645-96-5 Cat. No.: B121193 Fórmula: C₆H₅SeH Peso molecular: 157.07 Beilstein Registry Number: 385715 Número EC: 211-457-2

GRADE & PURITY ≥97%

Synonyms

Hydroselenobenzene | PhSeH | EINECS 211-457-2 | Benzeneselenol | MFCD00000001 | AKOS015840368 | ?PHENYLSELENOL | Phenylselenium | Phenol, seleno- | GXE | Benzene, selenyl- | B2105 | YWBHROUQJYHSOR-UHFFFAOYSA-N | Benzeneselenol, 97% | DTXSID30275709 | Phen

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

Benzeneselenol is an aryl selenol. Diphenyl diselenide-promoted radical addition of benzeneselenol to inactivated acetylenes upon irradiation through Pyrex with a tungsten lamp has been reported Catalysis of stannane-mediated radical chain reactions by benzeneselenol, generated in situ by reduction of diphenyl diselenide with tributyltin hydride, has been reporte

Benzeneselenol may be used as starting reagent in the synthesis of monoseleno-substituted 1,3-dienes.It may be used in the synthesis of cationic chalcogenolato-bridged diruthenium complexes

Specifications

Sinónimos

Hydroselenobenzene | PhSeH | EINECS 211-457-2 | Benzeneselenol | MFCD00000001 | AKOS015840368 | ?PHENYLSELENOL | Phenylselenium | Phenol, seleno- | GXE | Benzene, selenyl- | B2105 | YWBHROUQJYHSOR-UHFFFAOYSA-N | Benzeneselenol, 97% | DTXSID30275709 | Phen

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at -20°C,Argon charged

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504764055
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764055
• Sonrisas canónicas: C1=CC=C(C=C1)[Se]
• InChIKey: YWBHROUQJYHSOR-UHFFFAOYSA-N
• INCHI: 1S/C6H5Se/c7-6-4-2-1-3-5-6/h1-5H
• Isómeros SMILES: C1=CC=C(C=C1)[Se]
• WGK Alemania: 3
• Peso molecular: 157.07
• Beilstein: 385715
• Reaxy-Rn: 2515206
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2515206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organoselenium compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organoselenium compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Objetivos asociados (humanos)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Not miscible or difficult to mix in water.
• Sensibilidad: Air Sensitive,Heat sensitive
• Índice de refracción: 1.612
• Punto de inflamación (°C): 70°C
• Punto de ebullición (°C): 71-72 °C/18 mmHg
• Peso molecular: 156.070 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 156.956 Da
• Monoisotopic Mass: 156.956 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 46.100
• 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

XLogP3

Referencias

1. Fang Liao, Siwei Yang, Xiubing Li, Lijun Yang, Zhihui Xie, Chenshu Hu, Ling He, Xinyuan Kang, Xun Song, Tongyan Ren.  (2014)  Poly(o-phenylenediamine) and benzeneselenol copolymer fluorescent nanorod: An ultra-sensitive fluorescent probe and a fluorescent switch triggered by redox procedure.  SYNTHETIC METALS,      [PMID:] [10.1016/j.synthmet.2014.01.020]

2. Anruo Luo, Jianhua Chen, Yibing Zhang, Huimin Chen, Zerui Liu.  (2025)  Experimental and mechanistic study of selenium-based organic compounds as new collectors for copper ore flotation.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2025.162971]

3. Haoran Liu, Zihe Jiang, Zhiwei Hu, Banghuan Zhang, Tao He, Xiaohui Dong, Chaowei Sun, Jun Tian, Wei Jiang, Ferruccio Pisanello, Huatian Hu, Wen Chen, Hongxing Xu.  (2026)  Spatiotemporal Raman probing of molecular transport in sub–2-nm plasmonic quasi-2D nanochannels.  Science Advances,  12  (9):   [PMID:41739928] [10.1126/sciadv.aec3641]