Phenylselenenyl Bromide - ≥97% , CAS No.34837-55-3

CAS: 34837-55-3 Cat. No.: P160672 Molecular Weight: 235.97 Beilstein Registry Number: 2039770 EC Number: 252-238-1 PubChem CID: 123446

GRADE & PURITY ≥97%

Synonyms

phenyl selenium bromide | BDBM50028971 | MFCD00000047 | Benzeneselenenyl bromide | phenylselenylbromide | AKOS015840366 | Benzeneselenyl bromide | PhSeBr | SCHEMBL27929 | Phenyl hypobromoselenoite | D92107 | EINECS 252-238-1 | DTXSID50188387 | phenyl sele

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Overview

Application：

Phenylselenyl bromide was used in the preparation of exo-2-methyl-7-phenylselenyl-octahydro-8-oxa-2,7b-diaza-dicyclopenta[a,e]pentalene-1,3-dione and endo-2-methyl-7-phenylselanyl-octahydro-8-oxa-2,7b-diaza-dicyclopenta[a,e]pentalene-1,3-dione。 It was also used in the synthesis of enones by selenenylation of α-cyano ketones with lithium naphthalenide.

Specifications

Synonyms

phenyl selenium bromide | BDBM50028971 | MFCD00000047 | Benzeneselenenyl bromide | phenylselenylbromide | AKOS015840366 | Benzeneselenyl bromide | PhSeBr | SCHEMBL27929 | Phenyl hypobromoselenoite | D92107 | EINECS 252-238-1 | DTXSID50188387 | phenyl sele

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)[Se]Br
• IUPAC Name: phenyl selenohypobromite
• InChIKey: LCEFEIBEOBPPSJ-UHFFFAOYSA-N
• INCHI: 1S/C6H5BrSe/c7-8-6-4-2-1-3-5-6/h1-5H
• Isomeric SMILES: C1=CC=C(C=C1)[Se]Br
• WGK Germany: 3
• PubChem CID: 123446
• Molecular Weight: 235.97
• Beilstein: 2039770
• Reaxy-Rn: 2039772

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Selenenyl halides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Selenenyl halide - Hydrocarbon derivative - Organoselenium compound - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(Human)

EHMT2 Tchem Histone-lysine N-methyltransferase EHMT2 (1 Activities)

Discover Target: EHMT2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

EHMT1 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 (407 Activities)

Discover Target: EHMT1

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

BBOX1 Tchem Gamma-butyrobetaine dioxygenase (162 Activities)

Discover Target: BBOX1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Toluene
• Sensitivity: Air Sensitive,Moisture Sensitive
• Boil Point(°C): 107 °C/15 mmHg
• Melt Point(°C): 58 °C
• Molecular Weight: 235.980 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 235.874 Da
• Monoisotopic Mass: 235.874 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 59.500
• 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

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