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Substance Name: 2-Naphthylacetic acid
RN: 581-96-4
UNII: 202H99Z0CE
InChIKey: VIBOGIYPPWLDTI-UHFFFAOYSA-N

Molecular Formula

  • C12-H10-O2

Molecular Weight

  • 186.209
 
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Names and Synonyms

Name of Substance

  • 2-Naphthylacetic acid

Synonyms

  • 2-(2-Naphthyl)acetic acid
  • 2-Naphthylacetic acid
  • Acide beta-naphthylacetique
  • Acide beta-naphthylacetique [French]
  • beta-Naphthaleneacetate
  • beta-Naphthaleneacetic acid
  • beta-Naphthylacetic acid
  • Betoxan
  • EINECS 209-475-0
  • NSC 301
  • UNII-202H99Z0CE

Systematic Names

  • 2-Naphthaleneacetic acid
  • 2-Naphthylacetic acid

Registry Numbers

CAS Registry Number

  • 581-96-4

FDA UNII

  • 202H99Z0CE

System Generated Number

  • 0000581964

Structure Descriptors

InChI

1S/C12H10O2/c13-12(14)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,13,14)

InChIKey

VIBOGIYPPWLDTI-UHFFFAOYSA-N

Smiles

c12c(ccc(c1)CC(O)=O)cccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 500mg/kg (500mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 142 deg C   EXP
pKa Dissociation Constant 4.25 (none) 25 EXP
log P (octanol-water) 2.81 (none)   EXP
Water Solubility 508 mg/L 25 EST
Vapor Pressure 1.59E-05 mm Hg 25 EST
Henry's Law Constant 4.32E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.70E-11 cm3/molecule-sec 25 EST

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