Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4-Nitro-3-trifluoromethylphenol
RN: 88-30-2
UNII: 96W52A3IFS
InChIKey: ZEFMBAFMCSYJOO-UHFFFAOYSA-N

Note

  • Sea lamprey larvicide.

Molecular Formula

  • C7-H4-F3-N-O3

Molecular Weight

  • 207.107
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 3-Trifluoromethyl-4-nitrophenol
  • 4-Nitro-3-trifluoromethylphenol

Synonyms

  • 3-06-00-01328 (Beilstein Handbook Reference)
  • 3-Trifluoromethyl-4-nitrophenol
  • 4-Nitro-3-trifluoromethylphenol
  • AI3-26208
  • BRN 2053698
  • Caswell No. 890
  • Dowlap F
  • EINECS 201-818-2
  • EPA Pesticide Chemical Code 036201
  • HSDB 7506
  • Lamprecid
  • Lamprecide
  • m-Cresol, 4-nitro-alpha,alpha,alpha-trifluoro-
  • NSC 59758
  • Phenol, 4-nitro-3-(trifluoromethyl)-
  • Phenol, m-trifluoromethyl-
  • TFM
  • TMF
  • UNII-96W52A3IFS
  • USAF MA-6

Systematic Names

  • 4-Nitro-3-(trifluoromethyl)phenol
  • alpha,alpha,alpha-Trifluoro-4-nitro-m-cresol
  • m-Cresol, alpha,alpha,alpha-trifluoro-4-nitro-
  • Phenol, 4-nitro-3-(trifluoromethyl)-

Superlist Name

  • alpha,alpha,alpha-Trifluoro-4-nitro-m-cresol

Registry Numbers

CAS Registry Number

  • 88-30-2

FDA UNII

  • 96W52A3IFS

System Generated Number

  • 0000088302

Structure Descriptors

InChI

1S/C7H4F3NO3/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14/h1-3,12H

InChIKey

ZEFMBAFMCSYJOO-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)O)[N+](=O)[O-])C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral 500mg/kg (500mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 5, Pg. 89, 1976.
mouse LD50 intraperitoneal 25mg/kg (25mg/kg)   National Technical Information Service. Vol. AD277-689,
mouse LDLo intravenous 86mg/kg (86mg/kg)   "Fluorine Chemistry, Volume III. Biological Effects of Organic Fluorides," Simons, J.H., ed., New York, Academic Press, Inc., 1963Vol. 3, Pg. 84, 1963.
rat LDLo intraperitoneal 40mg/kg (40mg/kg)   Toxicology and Applied Pharmacology. Vol. 20, Pg. 216, 1971.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 76 deg C   EXP
pKa Dissociation Constant 6.07 (none)   EXP
log P (octanol-water) 2.870 (none)   EST
Water Solubility 5000 mg/L 25 EXP
Vapor Pressure 1.33E-03 mm Hg 25 EST
Henry's Law Constant 1.92E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.70E-13 cm3/molecule-sec 25 EST

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