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Substance Name: 2,4-Dichlorobenzoic acid
RN: 50-84-0
UNII: 0SR0320D45
InChIKey: ATCRIUVQKHMXSH-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl2-O2

Molecular Weight

  • 191.0126
 
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Names and Synonyms

Name of Substance

  • 2,4-Dichlorobenzoic acid

Synonyms

  • 2,4-Dichlorobenzoic acid
  • 4-09-00-00998 (Beilstein Handbook Reference)
  • AI3-14873
  • BRN 1868192
  • CCRIS 9472
  • EINECS 200-067-8
  • NSC 578
  • UNII-0SR0320D45

Systematic Names

  • 2,4-Dichlorobenzoic acid
  • Benzoic acid, 2,4-dichloro-

Registry Numbers

CAS Registry Number

  • 50-84-0

FDA UNII

  • 0SR0320D45

System Generated Number

  • 0000050840

Structure Descriptors

InChI

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

InChIKey

ATCRIUVQKHMXSH-UHFFFAOYSA-N

Smiles

c1(c(cc(Cl)cc1)Cl)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 830mg/kg (830mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. Vol. 20, Pg. 332, 1979.
mouse LD50 subcutaneous 1200mg/kg (1200mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Biochemical Pharmacology. Vol. 13, Pg. 1538, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 164.2 deg C   EXP
pKa Dissociation Constant 2.68 (none) 25 EXP
log P (octanol-water) 2.820 (none)   EST
Water Solubility 480 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.