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Substance Name: 2,3-Dihydroxybenzoic acid
RN: 303-38-8
UNII: 70D5FBB392
InChIKey: GLDQAMYCGOIJDV-UHFFFAOYSA-N

Classification Codes

  • Chelating Agents
  • Drug / Therapeutic Agent
  • Iron Chelating Agents
  • Sequestering Agents

Molecular Formula

  • C7-H6-O4

Molecular Weight

  • 154.1204
 
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Names and Synonyms

Name of Substance

  • 2,3-Dihydroxybenzoic acid

Synonyms

  • 2,3 DHB
  • 2,3-Dihydroxybenzoic acid
  • 2-Pyrocatechuic acid
  • 3-Hydroxysalicylic acid
  • 4-10-00-01414 (Beilstein Handbook Reference)
  • BRN 2209117
  • Catecholcarboxylic acid
  • DHBA
  • DOBK
  • EINECS 206-139-5
  • NSC 27435
  • Pyrocatechuic acid
  • UNII-70D5FBB392

Systematic Names

  • 2,3-Dihydroxybenzoic acid
  • Benzoic acid, 2,3-dihydroxy-
  • o-Pyrocatechuic acid (6CI,8CI)

Registry Numbers

CAS Registry Number

  • 303-38-8

FDA UNII

  • 70D5FBB392

Related Registry Number

  • 875-28-5 (hydrochloride salt)

System Generated Number

  • 0000303388

Structure Descriptors

InChI

1S/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)

InChIKey

GLDQAMYCGOIJDV-UHFFFAOYSA-N

Smiles

c1(c(c(ccc1)O)O)C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 oral > 3gm/kg (3000mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 204 deg C   EXP
pKa Dissociation Constant 2.914 (none) 25 EXP
log P (octanol-water) 1.2 (none)   EXP
Water Solubility 2.61E+04 mg/L 25 EST
Vapor Pressure 2.10E-06 mm Hg 25 EST
Henry's Law Constant 1.48E-12 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.30E-12 cm3/molecule-sec 25 EST

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