Product Name

  • Name

    4-Amino-3-nitrobenzotrifluoride

  • EINECS 206-926-3
  • CAS No. 400-98-6
  • Article Data17
  • CAS DataBase
  • Density 1.503 g/cm3
  • Solubility
  • Melting Point 105-106 °C(lit.)
  • Formula C7H5F3N2O2
  • Boiling Point 265.6 °C at 760 mmHg
  • Molecular Weight 206.124
  • Flash Point 114.4 °C
  • Transport Information UN 2811
  • Appearance White to yellow crystal powder
  • Safety 26-36/37
  • Risk Codes 20/21/22-36/37/38
  • Molecular Structure Molecular Structure of 400-98-6 (4-Amino-3-nitrobenzotrifluoride)
  • Hazard Symbols HarmfulXn, IrritantXi
  • Synonyms p-Toluidine,a,a,a-trifluoro-2-nitro-(6CI,7CI,8CI);(2-Nitro-4-trifluoromethylphenyl)amine;1-Amino-2-nitro-4-trifluoromethylbenzene;2-Nitro-4-(trifluoromethyl)aniline;2-Nitro-4-(trifluoromethyl)benzenamine;4-(Trifluoromethyl)-2-nitroaniline;NSC 13396;NSC 9429;TX 101;a,a,a-Trifluoro-2-nitro-p-toluidine;Benzenamine,2-nitro-4-(trifluoromethyl)-;
  • PSA 71.84000
  • LogP 3.30020

4-Amino-3-nitrobenzotrifluoride Chemical Properties


IUPAC Name: 2-Nitro-4-(trifluoromethyl)aniline
Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N
InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)4-1-2-5(11)6(3-4)12(13)14/h1-3H,11H2
InChIKey: ATXBGHLILIABGX-UHFFFAOYSA-N
Molecular Weight: 206.12201 [g/mol]
Molecular Formula: C7H5F3N2O2
XLogP3: 2
H-Bond Donor: 1
H-Bond Acceptor: 6 
EINECS: 206-926-3
Product Categories: Trifluoromethylbenzene serise; Anilines, Aromatic Amines and Nitro Compounds; Aniline; Amines 
Index of Refraction: 1.525
Molar Refractivity: 42.01 cm3
Molar Volume: 137 cm3
Surface Tension: 40.5 dyne/cm
Density: 1.503 g/cm3
Flash Point: 114.4 °C
Enthalpy of Vaporization: 50.35 kJ/mol
Boiling Point: 265.6 °C at 760 mmHg
Vapour Pressure: 0.00908 mmHg at 25 °C
Appearance: White to yellow crystal powder
Melting Point: 105-106 °C(lit.)
Classification Code of 4-Amino-3-nitrobenzotrifluoride (CAS NO.400-98-6): TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]

4-Amino-3-nitrobenzotrifluoride Uses

 4-Amino-3-nitrobenzotrifluoride (CAS NO.400-98-6) is used as medicine, pesticide intermediates.

4-Amino-3-nitrobenzotrifluoride Safety Profile

Hazard Codes: HarmfulXn,IrritantXi
Risk Statements: 20/21/22-36/37/38 
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36/37:Wear suitable protective clothing and gloves.
RIDADR: UN2811
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1

4-Amino-3-nitrobenzotrifluoride Specification

 4-Amino-3-nitrobenzotrifluoride (CAS NO.400-98-6), its Synonyms are Benzenamine, 2-nitro-4-(trifluoromethyl)- ; alpha,alpha,alpha-Trifluoro-2-nitro-p-toluidine ; 2-Nitro-4-trifluoromethyl-phenylamine ; 2-Nitro-4-(trifluoromethyl)- ; p-Toluidine, alpha,alpha,alpha-trifluoro-2-nitro- .

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