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Substance Name: CI 76645
RN: 582-17-2
UNII: 0TO8E448UD
InChIKey: DFQICHCWIIJABH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H8-O2

Molecular Weight

  • 160.171
 
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Names and Synonyms

Name of Substance

  • 2,7-Dihydroxynaphthalene
  • 2,7-Naphthalenediol
  • CI 76645

Synonyms

  • 2,7-Dihydroxynaphthalene
  • 4-06-00-06570 (Beilstein Handbook Reference)
  • BRN 2042383
  • C.I. 76645
  • CI 76645
  • EINECS 209-478-7
  • Naphthalene-2,7-diol
  • Naphthalenediol-2,7
  • Naphthalenediol-2,7 [French]
  • NSC 407541
  • UNII-0TO8E448UD

Systematic Name

  • 2,7-Naphthalenediol

Registry Numbers

CAS Registry Number

  • 582-17-2

FDA UNII

  • 0TO8E448UD

System Generated Number

  • 0000582172

Structure Descriptors

InChI

1S/C10H8O2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1-6,11-12H

InChIKey

DFQICHCWIIJABH-UHFFFAOYSA-N

Smiles

c12c(cc(O)cc1)cc(O)cc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 102mg/kg (102mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 13, Pg. 381, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 193 deg C   EXP
log P (octanol-water) 2.210 (none)   EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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