Product Name

  • Name

    NITROFLUORFEN

  • EINECS
  • CAS No. 42874-01-1
  • Article Data4
  • CAS DataBase
  • Density 1.461g/cm3
  • Solubility
  • Melting Point 68°C
  • Formula C13H7ClF3NO3
  • Boiling Point 329.8°C at 760 mmHg
  • Molecular Weight 317.652
  • Flash Point 153.3°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 42874-01-1 (NITROFLUORFEN)
  • Hazard Symbols
  • Synonyms 2-chloro-α,α,α-trifluoro-p-tolyl 4-nitrophenyl ether;RH 2512;Nitrofluorfen;Nitrofluorfene;2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene;
  • PSA 55.05000
  • LogP 5.58250

Nitrofluorfen Chemical Properties

Product Name: Nitrofluorfen (CAS NO.42874-01-1)


Molecular Formula: C13H7ClF3NO3
Molecular Weight: 317.65g/mol
Mol File: 42874-01-1.mol
Boiling point: 329.8 °C at 760 mmHg
Flash Point: 153.3 °C
Density: 1.461 g/cm3
Surface Tension: 40.1 dyne/cm
Enthalpy of Vaporization: 54.96 kJ/mol
Vapour Pressure: 0.000332 mmHg at 25°C
XLogP3-AA: 4.4
H-Bond Donor: 0
H-Bond Acceptor: 6
Structure Descriptors of Nitrofluorfen (CAS NO.42874-01-1):
  IUPAC Name: 2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)benzene
  Canonical SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2=C(C=C(C=C2)C(F)(F)F)Cl
  InChI: InChI=1S/C13H7ClF3NO3/c14-11-7-8(13(15,16)17)1-6-12(11)21-10-4-2-9(3-5-10)18(19)20/h1-7H 
  InChIKey: ZGGSVBWJVIXBHV-UHFFFAOYSA-N

Nitrofluorfen Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 5gm/kg (5000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 592, 1975.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Journal of Agricultural and Food Chemistry. Vol. 23, Pg. 592, 1975.
rat LD50 oral 1gm/kg (1000mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 2, Pg. 200, 1977.

Nitrofluorfen Safety Profile

Moderately toxic by ingestion. Low toxicity by skin contact. When heated to decomposition it emits toxic vapors of NOx, F−, and Cl−.

Nitrofluorfen Specification

 Nitrofluorfen ,its CAS NO. is 42874-01-1, the synonyms are 2-Chloro-1-(4-nitrophenoxy)-4-trifluoromethylbenzene ; BRN 2061985 ; Benzene, 2-chloro-1-(4-nitrophenoxy)-4-(trifluoromethyl)- (9CI) ; Nitrofluorfene ; Nitrofluorofen ; RH-2512 ; Ether, 2-chloro-alpha,alpha,alpha-trifluoro-p-tolyl p-nitrophenyl .

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