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Substance Name: 3-Hydroxybenzoic acid
RN: 99-06-9
UNII: 2ZFW40OJ7U
InChIKey: IJFXRHURBJZNAO-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Reproductive Effect

Molecular Formula

  • C7-H6-O3

Molecular Weight

  • 138.1214
 
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Names and Synonyms

Name of Substance

  • 3-Hydroxybenzoic acid

Synonyms

  • 3-Carboxyphenol
  • 3-Hydroxybenzoic acid
  • 4-27-00-07537 (Beilstein Handbook Reference)
  • Acido m-idrossibenzoico
  • Acido m-idrossibenzoico [Italian]
  • AI3-03110
  • BRN 0508160
  • EINECS 202-726-5
  • Kyselina 3-hydroxybenzoova
  • Kyselina 3-hydroxybenzoova [Czech]
  • m-Hba
  • m-Hydroxybenzoic acid
  • m-Salicylic acid
  • NSC 55746
  • UNII-2ZFW40OJ7U

Systematic Names

  • 3-Hydroxybenzoic acid
  • Benzoic acid, 3-hydroxy-
  • Benzoic acid, m-hydroxy-

Registry Numbers

CAS Registry Number

  • 99-06-9

FDA UNII

  • 2ZFW40OJ7U

Related Registry Number

  • 7720-19-6 (mono-hydrochloride salt)

System Generated Number

  • 0000099069

Structure Descriptors

InChI

InChI=1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)

InChIKey

IJFXRHURBJZNAO-UHFFFAOYSA-N

Smiles

OC(=O)c1cccc(O)c1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2gm/kg (2000mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 19, Pg. 483, 1946.
rat LD50 intraperitoneal 3700mg/kg (3700mg/kg)   Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 202 deg C   EXP
pKa Dissociation Constant 4.3 (none) 258 EXP
log P (octanol-water) 1.5 (none)   EXP
Water Solubility 7250 mg/L 25 EXP
Vapor Pressure 1.58E-04 mm Hg 25 EST
Henry's Law Constant 1.13E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 9.75E-12 cm3/molecule-sec 25 EST

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