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Substance Name: 2-Chlorophenol
RN: 95-57-8
UNII: K9KAV4K6BN
InChIKey: ISPYQTSUDJAMAB-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-Cl-O

Molecular Weight

  • 128.557
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Mutation Data
  • Nematocide
  • Reproductive Effect
  • Tumor Data

Superlist Classification Codes

  • 2007 CERCLA Priority List, Rank: 245
  • 2011 CERCLA Priority List, Rank: 244
  • Reportable Quantity (RQ) = 100 lb
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Names and Synonyms

Name of Substance

  • 2-Chlorophenol

Synonyms

  • 2-Chloro-1-hydroxybenzene
  • 2-Chlorophenol
  • 2-Hydroxychlorobenzene
  • AI3-09060
  • Caswell No. 203
  • CCRIS 640
  • EC 202-433-2
  • EINECS 202-433-2
  • EPA Pesticide Chemical Code 062204
  • HSDB 1415
  • NSC 2870
  • o-Chlorophenic acid
  • o-Chlorophenol
  • o-Chlorphenol
  • o-Chlorphenol [German]
  • p-Chlorfenol
  • p-Chlorfenol [Czech]
  • Pine-O Disinfectant
  • RCRA waste number U048
  • Septi-Kleen
  • UNII-K9KAV4K6BN

Systematic Names

  • 2-Chlorophenol
  • Phenol, 2-chloro-
  • Phenol, o-chloro-

Superlist Names

  • 2-Chlorophenol
  • o-Chlorophenol
  • o-Chlorophenol, liquid
  • o-Chlorophenol, liquid [UN2021] [Keep away from food]
  • o-Chlorophenol, solid
  • o-Chlorophenol, solid [UN2020] [Keep away from food]
  • Phenol, 2-chloro-
  • RCRA waste no. U048
  • UN2020
  • UN2021

Registry Numbers

CAS Registry Number

  • 95-57-8

FDA UNII

  • K9KAV4K6BN

Other Registry Number

  • 1773488-59-7

System Generated Number

  • 0000095578

Structure Descriptors

InChI

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

InChIKey

ISPYQTSUDJAMAB-UHFFFAOYSA-N

Smiles

c1(c(cccc1)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
frog LDLo subcutaneous 400mg/kg (400mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 112, 1959.
guinea pig LDLo subcutaneous 800mg/kg (800mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
mammal (species unspecified) LD50 oral 440mg/kg (440mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

SKIN AND APPENDAGES (SKIN): SWEATING: OTHER

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Trudy, VNIIVS. Transactions of the All-Union Scientific Research Institute of Veterinary Sanitation. Vol. 33, Pg. 258, 1969.
mouse LD50 intraperitoneal 235mg/kg (235mg/kg)   Journal of Medicinal Chemistry. Vol. 18, Pg. 868, 1975.
mouse LD50 oral 345mg/kg (345mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Toxicology Letters. Vol. 29, Pg. 39, 1985.
rabbit LDLo intravenous 120mg/kg (120mg/kg)   "Handbook of Toxicology," 4 vols., Philadelphia, W.B. Saunders Co., 1956-59Vol. 5, Pg. 112, 1959.
rabbit LDLo skin 1580mg/kg (1580mg/kg) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI

LIVER: OTHER CHANGES

BEHAVIORAL: FOOD INTAKE (ANIMAL)
National Technical Information Service. Vol. OTS0534831,
rabbit LDLo subcutaneous 950mg/kg (950mg/kg)   "Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1361, 1935.
rat LCLo inhalation 3100mg/m3/6H (3100mg/m3) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

SKIN AND APPENDAGES (SKIN): HAIR: OTHER

BEHAVIORAL: EXCITEMENT
National Technical Information Service. Vol. OTS0534816,
rat LD50 intraperitoneal 230mg/kg (230mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 20, 1958.
rat LD50 oral 40mg/kg (40mg/kg) LUNGS, THORAX, OR RESPIRATION: PULMONARY EMBOLI

LIVER: OTHER CHANGES
National Technical Information Service. Vol. OTS0534844,
rat LD50 subcutaneous 950mg/kg (950mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 2, Pg. 76, 1943.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 9.8 deg C   EXP
Boiling Point 174.9 deg C   EXP
pKa Dissociation Constant 8.56 (none)   EXP
log P (octanol-water) 2.15 (none)   EXP
Water Solubility 1.13E+04 mg/L 25 EXP
Vapor Pressure 2.53 mm Hg 25 EXP
Henry's Law Constant 1.12E-05 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.