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Substance Name: Parachlorophenol [USP]
RN: 106-48-9
UNII: 3DLC36A01X
InChIKey: WXNZTHHGJRFXKQ-UHFFFAOYSA-N

Note

  • Used as a root canal irrigant.

Molecular Formula

  • C6-H5-Cl-O

Molecular Weight

  • 128.5575
 

Classification Codes

  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Antibacterial (Topical)
  • Drug / Therapeutic Agent
  • Human Data
  • Mutation Data
  • Reproductive Effect
  • Skin / Eye Irritant
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Names and Synonyms

Name of Substance

  • 4-Chlorophenol
  • p-Chlorophenol
  • Parachlorophenol
  • Parachlorophenol [USP]
  • Phenol, 4-chloro-

Synonyms

  • 4-Chloro-1-hydroxybenzene
  • 4-Chlorophenol
  • 4-Hydroxychlorobenzene
  • 4-Monochlorophenol
  • AI3-19422
  • Applied 3-78
  • CCRIS 642
  • EC 203-402-6
  • EINECS 203-402-6
  • HSDB 1414
  • NSC 2877
  • p-Chlorfenol
  • p-Chlorfenol [Czech]
  • p-Chlorophenic acid
  • p-Chlorophenol
  • Parachlorophenol
  • Phenol, 4-chloro-
  • Phenol, p-chloro-
  • UNII-3DLC36A01X

Systematic Names

  • 4-Chlorophenol
  • Phenol, 4-chloro-
  • Phenol, p-chloro-

Superlist Names

  • p-Chlorophenol
  • p-Chlorophenol, liquid
  • p-Chlorophenol, liquid [UN2021] [Keep away from food]
  • p-Chlorophenol, solid
  • p-Chlorophenol, solid [UN2020] [Keep away from food]
  • Phenol, 4-chloro-
  • UN2020
  • UN2021

Registry Numbers

CAS Registry Number

  • 106-48-9

FDA UNII

  • 3DLC36A01X

Related Registry Numbers

  • 1121-74-0 (potassium salt)
  • 1193-00-6 (hydrochloride salt)

System Generated Number

  • 0000106489

Structure Descriptors

InChI

1S/C6H5ClO/c7-5-1-3-6(8)4-2-5/h1-4,8H

InChIKey

WXNZTHHGJRFXKQ-UHFFFAOYSA-N

Smiles

c1(ccc(Cl)cc1)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human TCLo inhalation 10gm/m3/8H (10000mg/m3) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: IRRITABILITY
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 29(10), Pg. 37, 1964.
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mammal (species unspecified) LD50 skin 1gm/kg (1000mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 45(10), Pg. 16, 1980.
mouse LCLo inhalation 3200mg/m3/2H (3200mg/m3) BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES

LIVER: OTHER CHANGES

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 57(7-8), Pg. 9, 1992.
mouse LD50 intraperitoneal 332mg/kg (332mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
mouse LD50 oral 367mg/kg (367mg/kg) BEHAVIORAL: COMA

BEHAVIORAL: EXCITEMENT
Zhurnal Eksperimental'noi i Klinicheskoi Meditsiny. Journal of Experimental and Clinical Medicine. Vol. 25, Pg. 339, 1985.
mouse LD50 unreported 605mg/kg (605mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 54(1), Pg. 68, 1989.
rat LC50 inhalation 11mg/m3 (11mg/m3)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 29(10), Pg. 37, 1964.
rat LD50 intraperitoneal 281mg/kg (281mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 20, 1958.
rat LD50 intraperitoneal 281mg/kg (281mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 20, 1958.
rat LD50 oral 670mg/kg (670mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 2, Pg. 76, 1943.
rat LD50 skin 1500mg/kg (1500mg/kg) SKIN AND APPENDAGES (SKIN): CORROSIVE: AFTER TOPICAL EXPOSURE

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 29(10), Pg. 37, 1964.
rat LD50 subcutaneous 1030mg/kg (1030mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 2, Pg. 76, 1943.
rat LD50 unreported 625mg/kg (625mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: EXCITEMENT
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 54(1), Pg. 68, 1989.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 42.7 deg C   EXP
Boiling Point 220 deg C   EXP
pKa Dissociation Constant 9.41 (none) 26 EXP
log P (octanol-water) 2.39 (none)   EXP
Water Solubility 2.40E+04 mg/L 25 EXP
Vapor Pressure 0.089 mm Hg 25 EXP
Henry's Law Constant 6.27E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 9.87E-12 cm3/molecule-sec 25 EST

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