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Substance Name: beta-Resorcylic acid
RN: 89-86-1
UNII: LU39SC9JYL
InChIKey: UIAFKZKHHVMJGS-UHFFFAOYSA-N

Classification Code

  • Reproductive Effect

Molecular Formula

  • C7-H6-O4

Molecular Weight

  • 154.1204
 
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Names and Synonyms

Name of Substance

  • beta-Resorcylic acid

Synonyms

  • 2,4-Dhba
  • 2,4-Dihydroxybenzoic acid
  • 2,4-Resorcylic acid
  • 4-10-00-01420 (Beilstein Handbook Reference)
  • 4-Carboxyresorcinol
  • 4-Hydroxysalicylic acid
  • AI3-24366
  • Benzoic acid, 2,4-dihydroxy-
  • beta-Resorcinolic acid
  • beta-Resorcylic acid
  • BRA
  • BRN 1946213
  • EINECS 201-946-9
  • NSC 13564
  • p-Hydroxysalicylic acid
  • RESORCYLIC ACID, BETA
  • UNII-LU39SC9JYL

Systematic Names

  • 2,4-Dihydroxybenzoic acid
  • Benzoic acid, 2,4-dihydroxy-
  • beta-Resorcylic acid

Superlist Name

  • 2,4-Dihydroxybenzoic acid

Registry Numbers

CAS Registry Number

  • 89-86-1

FDA UNII

  • LU39SC9JYL

Related Registry Numbers

  • 17289-70-2 (mono-hydrochloride salt)
  • 41453-50-3 (lead salt)

System Generated Number

  • 0000089861

Structure Descriptors

InChI

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

InChIKey

UIAFKZKHHVMJGS-UHFFFAOYSA-N

Smiles

OC(=O)c1ccc(O)cc1O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 800mg/kg (800mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 226 dec deg C   EXP
pKa Dissociation Constant 3.11 (none) 25 EXP
log P (octanol-water) 1.63 (none)   EXP
Water Solubility 5780 mg/L 25 EXP
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 2.01E-10 cm3/molecule-sec 25 EST

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