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4-Fluoro-3-nitroaniline

  • Name 4-Fluoro-3-nitroaniline
  • EINECS206-665-5
  • CAS No. 364-76-1
  • Density1.448 g/cm3
  • PSA71.84000
  • LogP2.42050
  • SolubilityInsoluble in water
  • Melting Point94-96 °C(lit.)
  • FormulaC6H5FN2O2
  • Boiling Point331.3 °C at 760 mmHg
  • Molecular Weight156.116
  • Flash Point91.1 °C
  • Transport InformationUN 1325 4.1/PG 2
  • Appearancewhite to light yellow crystal powder
  • Safety36/37-37/39-26
  • Risk Codes20/21/22-36/37/38-22
  • Molecular Structure
    Molecular Structure of 364-76-1 (4-Fluoro-3-nitroaniline)
  • Hazard SymbolsHarmfulXn, IrritantXi
  • SynonymsHarmfulXn, IrritantXi
  • Article Data16

4-Fluoro-3-nitroaniline Chemical Properties

The molecular structure of 4-Fluoro-3-nitroaniline (CAS NO.364-76-1):

IUPAC Name: 4-Fluoro-3-nitroaniline 
Molecular Weight: 156.114503 g/mol
Molecular Formula: C6H5FN2O2 
Density: 1.448 g/cm3 
Melting Point: 94-96 °C(lit.)
Boiling Point: 331.3 °C at 760 mmHg
Flash Point: 91.1 °C
Index of Refraction: 1.603
Molar Refractivity: 37.02 cm3
Molar Volume: 107.7 cm3
Surface Tension: 56.7 dyne/cm 
Enthalpy of Vaporization: 57.39 kJ/mol 
Vapour Pressure: 0.000157 mmHg at 25 °C 
Water Solubility: insoluble
XLogP3: 0.8
H-Bond Donor: 1
H-Bond Acceptor: 4 
Exact Mass: 156.033506
MonoIsotopic Mass: 156.033506
Topological Polar Surface Area: 69.2
Heavy Atom Count: 11
Canonical SMILES: C1=CC(=C(C=C1N)[N+](=O)[O-])F
InChI: InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
InChIKey: LLIOADBCFIXIEU-UHFFFAOYSA-N
EINECS: 206-665-5
Product Categories: Fluorobenzene Series; Anilines, Aromatic Amines and Nitro Compounds; Fluorobenzene; API intermediates; Amines; C2 to C6; Nitrogen Compounds

4-Fluoro-3-nitroaniline Uses

 4-Fluoro-3-nitroaniline (CAS NO.364-76-1) is used as dye and pharmaceutical intermediates.

4-Fluoro-3-nitroaniline Toxicity Data With Reference

1.    

orl-rat LD50:1100 mg/kg

    TXAPA9    Toxicology and Applied Pharmacology. 72 (1984),400.

4-Fluoro-3-nitroaniline Consensus Reports

Reported in EPA TSCA Inventory.

4-Fluoro-3-nitroaniline Safety Profile

Hazard Codes: HarmfulXn, IrritantXi
Risk Statements: 20/21/22-36/37/38-22 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin. 
R22:Harmful if swallowed.
Safety Statements: 36/37-37/39-26 
S36/37:Wear suitable protective clothing and gloves. 
S37/39:Wear suitable gloves and eye/face protection. 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
RIDADR: UN 1325 4.1/PG 2
WGK Germany: 2
RTECS: BY1700000
Hazard Note: Irritant
TSCA: T
HazardClass: 6.1(b)
PackingGroup: III
HS Code: 29214210
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and F.

4-Fluoro-3-nitroaniline Specification

 4-Fluoro-3-nitroaniline (CAS NO.364-76-1) is also named as 3-Nitro-4-fluoroaniline ; 4-12-00-01668 (Beilstein Handbook Reference) ; 4-Fluoro-3-nitrobenzenamine ; BRN 2210199 ; Benzenamine, 4-fluoro-3-nitro- ; NSC 10293 . 4-Fluoro-3-nitroaniline (CAS NO.364-76-1) is white to light yellow crystal powder. It is insoluble in water, soluble in benzene, toluene, ethanol and ether .

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