Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2,6-Dichlorobenzoic acid
RN: 50-30-6
UNII: 634RI764QT
InChIKey: MRUDNSFOFOQZDA-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • TSCA Flag PMN (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C7-H4-Cl2-O2

Molecular Weight

  • 191.0126
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 2,6-Dichlorobenzoic acid

Synonyms

  • 2,6-Dichlorobenzoic acid
  • 4-09-00-01005 (Beilstein Handbook Reference)
  • AI3-33337
  • BRN 0973858
  • CCRIS 8610
  • EINECS 200-025-9
  • NSC 76599
  • UNII-634RI764QT

Systematic Names

  • 2,6-Dichlorobenzoic acid
  • Benzoic acid, 2,6-dichloro-

Registry Numbers

CAS Registry Number

  • 50-30-6

FDA UNII

  • 634RI764QT

System Generated Number

  • 0000050306

Structure Descriptors

InChI

1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

InChIKey

MRUDNSFOFOQZDA-UHFFFAOYSA-N

Smiles

c1(c(cccc1Cl)Cl)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 316mg/kg (316mg/kg) BEHAVIORAL: REGIDITY

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Journal of Medicinal Chemistry. Vol. 11, Pg. 1020, 1968.
mouse LD50 subcutaneous 1500mg/kg (1500mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
Biochemical Pharmacology. Vol. 13, Pg. 1538, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 144 deg C   EXP
pKa Dissociation Constant 1.59 (none) 25 EXP
log P (octanol-water) 2.23 (none)   EXP
Water Solubility 1.41E+04 mg/L   EXP
Vapor Pressure 4.47E-04 mm Hg 25 EST
Henry's Law Constant 5.95E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.77E-13 cm3/molecule-sec 25 EST

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