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Substance Name: Propanol, 3-fluoro-
RN: 462-43-1
InChIKey: NLRJUIXKEMCEOH-UHFFFAOYSA-N

Molecular Formula

  • C3-H7-F-O

Molecular Weight

  • 78.0853
 
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Names and Synonyms

Synonyms

  • 3-Fluoropropanol
  • 3-Hydroxypropyl fluoride
  • 4-01-00-01437 (Beilstein Handbook Reference)
  • BRN 1731076
  • omega-Fluoropropanol
  • TL 1510

Systematic Name

  • Propanol, 3-fluoro-

Registry Numbers

CAS Registry Number

  • 462-43-1

System Generated Number

  • 0000462431

Structure Descriptors

InChI

1S/C3H7FO/c4-2-1-3-5/h5H,1-3H2

InChIKey

NLRJUIXKEMCEOH-UHFFFAOYSA-N

Smiles

OCCCF

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LCLo inhalation 350mg/m3/10M (350mg/m3)   National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. 30101, Pg. 4, 1945.
mouse LD50 intraperitoneal 47mg/kg (47mg/kg)   Journal of Organic Chemistry. Vol. 21, Pg. 739, 1956.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 127.8 deg C   EXP
log P (octanol-water) -0.28 (none)   EXP
Water Solubility 7.40E+05 mg/L 25 EST
Vapor Pressure 29.8 mm Hg 25 EST
Henry's Law Constant 9.44E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.97E-12 cm3/molecule-sec 25 EST

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