Pentachlorophenol sodium

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CAT#:0926-FP171620-01Size:0.5 Kg

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CAS Number

131-52-2

Smiles

C1 (=C (C (=C (C (=C1Cl) Cl) Cl) Cl) Cl) [O-].[Na+]

Molecular Formula

C6Cl5NaO

Molecular Weight

288.32 g/mol

Controlled

Yes

Chemical Information

Sodium pentachlorophenolate

Sodium pentachlorophenate is a white or tan, powdered solid. It is soluble in water and may burn, but it is not easily ignited. It may be toxic by ingestion, inhalation and skin absorption. It is used as a fungicide, herbicide and as a disinfectant.

CAS Number	131-52-2
PubChem CID	23663539
IUPAC Name	sodium 2,3,4,5,6-pentachlorophenolate
Molecular Formula	C6Cl5NaO
Molecular Weight	288.3
Topological Polar Surface Area	23.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	13
Formal Charge	0
Complexity	155

SMILES

C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]

InChI

InChI=1S/C6HCl5O.Na/c7-1-2(8)4(10)6(12)5(11)3(1)9;/h12H;/q;+1/p-1

InChIKey

HCJLVWUMMKIQIM-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 131-52-2

CID: 23663539

Formula: C6Cl5NaO

MW: 288.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	288.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	287.825997
Monoisotopic Mass	285.828947
Topological Polar Surface Area	23.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	155
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	2
Compound Is Canonicalized	Yes

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Pentachlorophenol sodium

Chemical Information

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