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Substance Name: Ammonium, (5-chloromethylfurfuryl)trimethyl-, iodide
RN: 66473-27-6
InChIKey: HOFDTGFELNBNDS-UHFFFAOYSA-M

Molecular Formula

  • C9-H15-Cl-N-O.I

Molecular Weight

  • 315.577
 
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Names and Synonyms

Synonyms

  • (5-Chloromethylfurfuryl)trimethylammonium iodide
  • 5-Chloromethylfurmethide

Systematic Name

  • Ammonium, (5-chloromethylfurfuryl)trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 66473-27-6

System Generated Number

  • 0066473276

Molecular Formulas

Molecular Formula

  • C9-H15-Cl-N-O.I

Molecular Formula Fragments

  • C9-H15-Cl-N-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C9H15ClNO.HI/c1-11(2,3)7-9-5-4-8(6-10)12-9;/h4-5H,6-7H2,1-3H3;1H/q+1;/p-1

InChIKey

HOFDTGFELNBNDS-UHFFFAOYSA-M

Smiles

c1(oc(CCl)cc1)C[N+](C)(C)C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 3660mg/kg (3660mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 43, Pg. 73, 1978.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) -2.00E+00 (none)   EXP
Water Solubility 5.08E+05 mg/L 25 EST
Vapor Pressure 2.36E-09 mm Hg 25 EST
Henry's Law Constant 8.25E-14 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.82E-11 cm3/molecule-sec 25 EST

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