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Substance Name: Phloroglucinol
RN: 108-73-6
UNII: DHD7FFG6YS
InChIKey: QCDYQQDYXPDABM-UHFFFAOYSA-N

Note

  • A trinitrobenzene derivative with antispasmodic properties that is used primarily as a laboratory reagent.

Molecular Formula

  • C6-H6-O3

Molecular Weight

  • 126.1104
 

Classification Codes

  • Drug / Therapeutic Agent
  • Indicators and Reagents
  • Mutation Data
  • Reproductive Effect
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Names and Synonyms

Results Name

  • Phloroglucinol

Name of Substance

  • 1,3,5-Benzenetriol
  • Phloroglucinol
  • Phloroglucinol [BAN]

MeSH Heading

  • Phloroglucinol

Synonyms

  • 1,3
  • 1,3,5-Trihydroxybenzene
  • 1,3,5-Trihydroxycyclohexatriene
  • 1,3,5-Triol
  • 3,5-Dihydroxyphenol
  • 4-06-00-07361 (Beilstein Handbook Reference)
  • 5-Hydroxyresorcinol
  • 5-Oxyresorcinol
  • AI3-08848
  • Benzene, 1,3,5-trihydroxy-
  • Benzene, trihydroxy
  • Benzene-1,3,5-triol
  • Benzene-s-triol
  • BRN 1341907
  • CCRIS 4147
  • Dilospan S
  • EINECS 203-611-2
  • Floroglucin
  • Floroglucin [Czech]
  • Floroglucinol
  • Floroglucinol [Czech]
  • NSC 1572
  • Phloroglucin
  • Phloroglucine
  • Phloroglucinol
  • s-Trihydroxybenzene
  • Spasfon-Lyoc
  • sym-Trihydroxybenzene
  • UNII-DHD7FFG6YS

Systematic Names

  • 1,3,5-Benzenetriol
  • Phloroglucinol

Registry Numbers

CAS Registry Number

  • 108-73-6

FDA UNII

  • DHD7FFG6YS

System Generated Number

  • 0000108736

Structure Descriptors

InChI

1S/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H

InChIKey

QCDYQQDYXPDABM-UHFFFAOYSA-N

Smiles

c1c(cc(cc1O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous > 250mg/kg (250mg/kg)   Therapie. Vol. 17, Pg. 1349, 1962.
mouse LD50 intraperitoneal 4050mg/kg (4050mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.
mouse LD50 oral 4550mg/kg (4550mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 3, Pg. 187, 1969.
mouse LD50 subcutaneous 991mg/kg (991mg/kg)   Zeitschrift fuer die Gesamte Innere Medizin und Ihre Grenzgebiete. Vol. 2, Pg. 333, 1947.
rat LD50 intraperitoneal 3180mg/kg (3180mg/kg)   Drugs in Japan Vol. 6, Pg. 740, 1982.
rat LD50 oral 4gm/kg (4000mg/kg)   Therapie. Vol. 17, Pg. 1349, 1962.
rat LD50 subcutaneous 4850mg/kg (4850mg/kg)   Drugs in Japan Vol. 6, Pg. 740, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 218.5 deg C   EXP
pKa Dissociation Constant 8.45 (none)   EXP
log P (octanol-water) 0.16 (none)   EXP
Water Solubility 1.06E+04 mg/L 20 EXP
Vapor Pressure 1.60E-04 mm Hg 25 EST
Henry's Law Constant 6.07E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.00E-10 cm3/molecule-sec 25 EST

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