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Substance Name: 3,4-Dichlorobenzoic acid
RN: 51-44-5
UNII: YS4ZR9BXWX
InChIKey: VPHHJAOJUJHJKD-UHFFFAOYSA-N

Molecular Formula

  • C7-H4-Cl2-O2

Molecular Weight

  • 191.0126
 
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Names and Synonyms

Name of Substance

  • 3,4-Dichlorobenzoic acid

Synonyms

  • 3,4-Dichlorobenzoic acid
  • 4-09-00-01006 (Beilstein Handbook Reference)
  • AI3-04213
  • BRN 2044777
  • EINECS 200-099-2
  • NSC 17583
  • UNII-YS4ZR9BXWX

Systematic Names

  • 3,4-Dichlorobenzoic acid
  • Benzoic acid, 3,4-dichloro-

Registry Numbers

CAS Registry Number

  • 51-44-5

FDA UNII

  • YS4ZR9BXWX

System Generated Number

  • 0000051445

Structure Descriptors

InChI

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

InChIKey

VPHHJAOJUJHJKD-UHFFFAOYSA-N

Smiles

c1cc(c(cc1C(=O)O)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 400mg/kg (400mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: MUSCLE WEAKNESS
Biochemical Pharmacology. Vol. 13, Pg. 1538, 1964.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 350 dec deg C   EXP
pKa Dissociation Constant 3.64 (none) 25 EXP
log P (octanol-water) 3.25 (none)   EXP
Water Solubility 61.1 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 6.68E-13 cm3/molecule-sec 25 EST

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