Benzeneselenol

CAT: 0024-sc-239294Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239294Size:1 g

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CAS Number

645-96-5

Chemical Information

Benzeneselenol

Benzeneselenol is a chemical compound of selenium. It is a useful reagent in organic synthesis. Selenium is a nonmetal element with the atomic number 34 and the chemical symbol Se. Selenium rarely occurs in its elemental state in nature and is usually found in sulfide ores such as pyrite, partially replacing the sulfur in the ore matrix. It may also be found in silver, copper, lead, and nickel minerals. Though selenium salts are toxic in large amounts, trace amounts of the element are necessary for cellular function in most animals, forming the active center of the enzymes glutathione peroxidase, thioredoxin reductase, and three known deiodinase enzymes. (L620, L622)

CAS Number	645-96-5
PubChem CID	69530
IUPAC Name	benzeneselenol
Molecular Formula	C6H6Se
Molecular Weight	157.08
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	46

SMILES

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

InChI

InChI=1S/C6H6Se/c7-6-4-2-1-3-5-6/h1-5,7H

InChIKey

WDODWFPDZYSKIA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 645-96-5

CID: 69530

Formula: C6H6Se

MW: 157.08

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	157.08
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	157.96347
Monoisotopic Mass	157.96347
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	46.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
FB178739-01	Benzeneselenol
B01940-01	Benzeneselenol 98%

Benzeneselenol

Chemical Information

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