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Pentachlorophenol sodium

CAT: 0926-FP171620-03Size: 2 KgDry Ice: NoHazardous: No
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CAT#:0926-FP171620-03Size:2 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 Number131-52-2
PubChem CID23663539
IUPAC Namesodium 2,3,4,5,6-pentachlorophenolate
Molecular FormulaC6Cl5NaO
Molecular Weight288.3
Topological Polar Surface Area23.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count13
Formal Charge0
Complexity155
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
2D structure of Sodium pentachlorophenolate
CAS: 131-52-2
CID: 23663539
Formula: C6Cl5NaO
MW: 288.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight288.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass287.825997
Monoisotopic Mass285.828947
Topological Polar Surface Area23.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity155
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes