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Substance Name: 4-Chlorophenoxyacetic acid
RN: 122-88-3
UNII: 4EMM3U5P3K
InChIKey: SODPIMGUZLOIPE-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Drug / Therapeutic Agent
  • Growth Regulator / Fertilizer
  • Mutation Data

Molecular Formula

  • C8-H7-Cl-O3

Molecular Weight

  • 186.5933
 
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Names and Synonyms

Results Name

  • 4-Chlorophenoxyacetic acid

Name of Substance

  • 4-Chlorophenoxyacetic acid

Synonyms

  • (4-Chlorophenoxy)acetic acid
  • 4-06-00-00845 (Beilstein Handbook Reference)
  • 4-Chlorophenoxyacetic acid
  • 4-CP
  • 4-CPA
  • 4CPA
  • Acetic acid, (4-chlorophenoxy)-
  • Acetic acid, (p-chlorophenoxy)-
  • AI3-30799
  • BI 12
  • BRN 1211804
  • Caswell No. 204
  • CCRIS 1465
  • CPA
  • EINECS 204-581-3
  • EPA Pesticide Chemical Code 019401
  • HSDB 3944
  • Kyselina 4-chlorfenoxyoctova
  • Kyselina 4-chlorfenoxyoctova [Czech]
  • Marks 4-cpa
  • p-Chlorophenoxyacetic acid
  • Parachlorophenoxyacetic acid
  • PCPA
  • Sure-Set
  • Tomato Fix
  • Tomato Fix concentrate
  • Tomato hold
  • Tomatotone
  • UNII-4EMM3U5P3K

Systematic Names

  • 4-Chlorophenoxyacetic acid
  • 4-CPA
  • Acetic acid, (4-chlorophenoxy)-
  • Acetic acid, (p-chlorophenoxy)-
  • Acetic acid, 2-(4-chlorophenoxy)-

Superlist Name

  • 4-Chlorophenoxyacetic acid

Registry Numbers

CAS Registry Number

  • 122-88-3

FDA UNII

  • 4EMM3U5P3K

Related Registry Number

  • 13730-98-8 (hydrochloride salt)

System Generated Number

  • 0000122883

Structure Descriptors

InChI

1S/C8H7ClO3/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H,10,11)

InChIKey

SODPIMGUZLOIPE-UHFFFAOYSA-N

Smiles

c1(ccc(cc1)Cl)OCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 680mg/kg (680mg/kg)   Chimica Therapeutica. Vol. 5, Pg. 211, 1970.
rat LD50 oral 850mg/kg (850mg/kg)   Residue Reviews. Vol. 10, Pg. 97, 1965.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 164 deg C   EXP
pKa Dissociation Constant 3.56 (none) 25 EXP
log P (octanol-water) 2.25 (none)   EXP
Water Solubility 957 mg/L 25 EXP
Vapor Pressure 3.18E-04 mm Hg 25 EST
Henry's Law Constant 6.43E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.09E-11 cm3/molecule-sec 25 EST

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