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Substance Name: Chloranilic acid
RN: 87-88-7
UNII: YJ8L3BB7Y4
InChIKey: IPPWILKGXFOXHO-UHFFFAOYSA-N

Molecular Formula

  • C6-H2-Cl2-O4

Molecular Weight

  • 208.9838
 
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Names and Synonyms

Name of Substance

  • Chloranilic acid

Synonyms

  • 2,5-Dichloro-3,6-dihydroxy-p-benzoquinone
  • 2,5-Dihydroxy-3,6-dichlorobenzoquinone
  • 4-08-00-02707 (Beilstein Handbook Reference)
  • AI3-61846
  • BRN 1875040
  • Chloranilic acid
  • EINECS 201-780-7
  • NSC 6108
  • p-Chloranilic acid
  • p-Quinone, 2,5-dichloro-3,6-dihydroxy-
  • UNII-YJ8L3BB7Y4

Systematic Names

  • 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-
  • 2,5-Dichloro-3,6-dihydroxybenzoquinone
  • p-Benzoquinone, 2,5-dichloro-3,6-dihydroxy-

Registry Numbers

CAS Registry Number

  • 87-88-7

FDA UNII

  • YJ8L3BB7Y4

Other Registry Number

  • 260353-37-5

System Generated Number

  • 0000087887

Structure Descriptors

InChI

1S/C6H2Cl2O4/c7-1-3(9)5(11)2(8)6(12)4(1)10/h9,12H

InChIKey

IPPWILKGXFOXHO-UHFFFAOYSA-N

Smiles

C1(=C(C(=O)C(=C(C1=O)Cl)O)Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD oral > 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 9, 1953.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 283.5 deg C   EXP
log P (octanol-water) -0.130 (none)   EST
Water Solubility 1900 mg/L 14 EXP
Atmospheric OH Rate Constant 5.94E-12 cm3/molecule-sec 25 EST

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