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Substance Name: Sodium pentachlorophenolate
RN: 131-52-2
UNII: 640L8FZO38
InChIKey: HCJLVWUMMKIQIM-UHFFFAOYSA-M

Note

  • An insecticide and herbicide that has also been used as a wood preservative. Pentachlorphenol is a widespread environmental pollutant. Both chronic and acute pentachlorophenol poisoning are medical concerns. The range of its biological actions is still being actively explored, but it is clearly a potent enzyme inhibitor and has been used as such as an experimental tool.

Molecular Formulas

  • C6-Cl5-O.Na
  • C6-H-Cl5-O.Na

Molecular Weight

  • 288.32
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Herbicide
  • Mutation Data
  • Out-Dated Pesticide
  • Reproductive Effect

Superlist Classification Code

  • Reasonably Anticipated to be a Human Carcinogen.
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Names and Synonyms

Results Name

  • Sodium pentachlorophenolate

Name of Substance

  • Pentachlorophenol, sodium salt

Synonyms

  • AI3-16418
  • Caswell No. 784
  • Dow dormant fungicide
  • Dowicide G
  • Dowicide G-ST
  • EINECS 205-025-2
  • EPA Pesticide Chemical Code 063003
  • GR 48-11PS
  • GR 48-32S
  • HSDB 761
  • Mystox D
  • Napclor-G
  • NSC 1566
  • PCP Sodium salt
  • PCP-Sodium
  • Pentachlorophenate sodium
  • Pentachlorophenol, sodium salt
  • Pentachlorophenoxy sodium
  • Pentachlorphenol sodium salt
  • Pentanot 25
  • Pentaphenate
  • Phenol, pentachloro-, sodium salt
  • Pkhfn
  • Preventol PN
  • Santobrite
  • Santobrite D
  • Sapco 25
  • Sodium PCP
  • Sodium pentachlorophenate
  • Sodium pentachlorophenol
  • Sodium pentachlorophenolate
  • Sodium pentachlorophenoxide
  • Sodium pentachlorphenate
  • Sodium, (pentachlorophenoxy)-
  • UNII-640L8FZO38
  • Weedbeads
  • Witophen N

Systematic Names

  • Phenol, 2,3,4,5,6-pentachloro-, sodium salt (1:1)
  • Phenol, pentachloro-, sodium salt
  • Phenol, pentachloro-, sodium salt, monohydrate
  • Sodium pentachlorophenolate

Superlist Names

  • Sodium pentachlorophenate
  • Sodium pentachlorophenate [UN2567] [Poison]
  • UN2567

Registry Numbers

CAS Registry Number

  • 131-52-2

FDA UNII

  • 640L8FZO38

System Generated Number

  • 0000131522

Molecular Formulas

Molecular Formulas

  • C6-Cl5-O.Na
  • C6-H-Cl5-O.Na

Molecular Formula Fragments

  • C6-Cl5-O
  • C6-H-Cl5-O
  • COMPONENT
  • Na

Structure Descriptors

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

Smiles

c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo subcutaneous 135mg/kg (135mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 125, 1959.
guinea pig LC50 inhalation 341mg/m3/2H (341mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 106, 1982.
guinea pig LDLo intratracheal 120mg/kg (120mg/kg)   Meditsinskii Zhurnal Uzbekistana. Vol. (9), Pg. 29, 1959.
guinea pig LDLo oral 250mg/kg (250mg/kg)   Meditsinskii Zhurnal Uzbekistana. Vol. (9), Pg. 29, 1959.
guinea pig LDLo skin 266mg/kg (266mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 125, 1959.
mouse LC50 inhalation 240mg/m3/2H (240mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 106, 1982.
mouse LD50 intraperitoneal 63700ug/kg (63.7mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
Osaka Shiritsu Daigaku Igaku Zasshi. Journal of the Osaka City Medical Center. Vol. 5, Pg. 119, 1956.
mouse LD50 oral 197mg/kg (197mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 106, 1982.
mouse LD50 skin 124mg/kg (124mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 106, 1982.
mouse LDLo intratracheal 164mg/kg (164mg/kg)   Meditsinskii Zhurnal Uzbekistana. Vol. (9), Pg. 29, 1959.
mouse LDLo subcutaneous 56mg/kg (56mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 125, 1959.
rabbit LD50 oral 328mg/kg (328mg/kg)   Meditsinskii Zhurnal Uzbekistana. Vol. (9), Pg. 29, 1959.
rabbit LDLo intraperitoneal 50mg/kg (50mg/kg)   Journal of Industrial Hygiene and Toxicology. Vol. 23, Pg. 239, 1941.
rabbit LDLo intravenous 22mg/kg (22mg/kg) VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION

ENDOCRINE: HYPERGLYCEMIA
Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 104, 1942.
rabbit LDLo skin 250mg/kg (250mg/kg) ENDOCRINE: HYPERGLYCEMIA

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 104, 1942.
rabbit LDLo subcutaneous 100mg/kg (100mg/kg) ENDOCRINE: HYPERGLYCEMIA

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 104, 1942.
rat LD50 oral 126mg/kg (126mg/kg)   Zhonghua Yufangyixue Zazhi. Chinese Journal of Preventive Medicine. Vol. 13, Pg. 8, 1979.
rat LD50 subcutaneous 66mg/kg (66mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 104, 1942.
rat LD50 subcutaneous 66mg/kg (66mg/kg) ENDOCRINE: HYPERGLYCEMIA

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 76, Pg. 104, 1942.
rat LDLo intratracheal 146mg/kg (146mg/kg)   Meditsinskii Zhurnal Uzbekistana. Vol. (9), Pg. 29, 1959.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 2.050 (none)   EST
Water Solubility 3.30E+05 mg/L 25 EXP
Vapor Pressure 2.70E-11 mm Hg 25 EST
Henry's Law Constant 3.10E-17 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.65E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.