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

CAS: 645-96-5 Cat. No.: B121193 Formula: C₆H₅SeH Peso molecolare: 157.07 Beilstein Registry Number: 385715 Numero 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at -20°C,Argon charged

Spedito in

Ice chest + Ice pads

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Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504764055

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504764055

Sorrisi canonici

C1=CC=C(C=C1)[Se]

InChIKey

YWBHROUQJYHSOR-UHFFFAOYSA-N

INCHI

1S/C6H5Se/c7-6-4-2-1-3-5-6/h1-5H

Isomeri SMILES

C1=CC=C(C=C1)[Se]

WGK Germania

3

Peso molecolare

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
    • Classe Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

Ca7 Carbonic anhydrase VII (3 Activities)

Discover Target: Ca7

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Not miscible or difficult to mix in water.
• Sensibilità: Air Sensitive,Heat sensitive
• Indice di rifrazione: 1.612
• Punto di infiammabilità (°C): 70°C
• Punto di ebollizione (°C): 71-72 °C/18 mmHg
• Peso molecolare: 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