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Substance Name: 2-Naphthoic acid
RN: 93-09-4
UNII: QLG01V0W2L
InChIKey: UOBYKYZJUGYBDK-UHFFFAOYSA-N

Molecular Formula

  • C11-H8-O2

Molecular Weight

  • 172.182
 
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Names and Synonyms

Name of Substance

  • 2-Naphthoic acid

Synonyms

  • 2-Carboxynaphthalene
  • 2-Maythic acid
  • 2-Naphthalenecarboxylic acid
  • 4-09-00-02414 (Beilstein Handbook Reference)
  • AI3-16903
  • beta-Naphthoic acid
  • BRN 0972039
  • EINECS 202-217-8
  • Isonaphthoic acid
  • Naphthalene-beta-carboxylic acid
  • ne-2-carboxylic acid
  • NSC 59901
  • UNII-QLG01V0W2L

Systematic Names

  • 2-Naphthalenecarboxylic acid
  • 2-Naphthoic acid

Registry Numbers

CAS Registry Number

  • 93-09-4

FDA UNII

  • QLG01V0W2L

System Generated Number

  • 0000093094

Structure Descriptors

InChI

1S/C11H8O2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,12,13)

InChIKey

UOBYKYZJUGYBDK-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 4700mg/kg (4700mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 90, 1982.
mouse LDLo intraperitoneal 500mg/kg (500mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)
"Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 379, 1952.
rat LD50 oral 4500mg/kg (4500mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 90, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 185.5 deg C   EXP
Boiling Point >300 deg C   EXP
pKa Dissociation Constant 4.17 (none) 20 EXP
log P (octanol-water) 3.28 (none)   EXP
Water Solubility 47 mg/L 25 EXP
Henry's Law Constant 1.06E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.52E-12 cm3/molecule-sec 25 EST

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