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Substance Name: 4-Hydroxyisophthalic acid
RN: 636-46-4
UNII: P87FF77O00
InChIKey: BCEQKAQCUWUNML-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C8-H6-O5

Molecular Weight

  • 182.1304
 
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Names and Synonyms

Name of Substance

  • 4-Hydroxyisophthalic acid

Synonyms

  • 4-10-00-02091 (Beilstein Handbook Reference)
  • 4-HIPA
  • 4-Hydroxy-1,3-benzenedicarboxylic acid
  • 4-Hydroxy-m-phthalic acid
  • 4-Hydroxyisophthalic acid
  • AI3-24050
  • BRN 2211981
  • EINECS 211-258-0
  • Eupirina
  • NSC 2445
  • UNII-P87FF77O00

Systematic Names

  • 1,3-Benzenedicarboxylic acid, 4-hydroxy- (9CI)
  • 4-Hydroxyisophthalic acid
  • Isophthalic acid, 4-hydroxy-

Registry Numbers

CAS Registry Number

  • 636-46-4

FDA UNII

  • P87FF77O00

System Generated Number

  • 0000636464

Structure Descriptors

InChI

1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

InChIKey

BCEQKAQCUWUNML-UHFFFAOYSA-N

Smiles

c1cc(c(cc1C(=O)O)C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1300mg/kg (1300mg/kg)   Farmaco, Edizione Scientifica. Vol. 16, Pg. 200, 1961.
rat LD50 intraperitoneal 1071mg/kg (1071mg/kg)   British Journal of Pharmacology and Chemotherapy. Vol. 11, Pg. 20, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 310 deg C   EXP
log P (octanol-water) 2.130 (none)   EST
Water Solubility 300 mg/L 24 EXP
Atmospheric OH Rate Constant 5.75E-12 cm3/molecule-sec 25 EST

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