4-Nitro-3-(trifluoromethyl)aniline , 98% , 393-11-3

Synonym(s):
4-Nitro-α,α,α-trifluoro-m-toluidine;4-Nitro-3-(trifluoromethyl)aniline;5-Amino-2-nitrobenzotrifluoride

CAS NO.：393-11-3

Empirical Formula: C7H5F3N2O2

Molecular Weight: 206.12

MDL number: MFCD00014717

EINECS: 206-884-6

PRODUCT Properties

• Melting point: 125-129 °C (lit.)
• Boiling point: 326.4±42.0 °C(Predicted)
• Density: 1.4711 (estimate)
• storage temp.: 2-8°C
• solubility: DMSO (Slightly), Methanol (Slightly)
• form: Solid
• pka: -0.22±0.10(Predicted)
• color: Yellow to Orange-Yellow
• BRN: 2650702
• InChI: InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3-4(11)1-2-6(5)12(13)14/h1-3H,11H2
• InChIKey: UTKUVRNVYFTEHF-UHFFFAOYSA-N
• SMILES: C1(N)=CC=C([N+]([O-])=O)C(C(F)(F)F)=C1
• CAS DataBase Reference: 393-11-3(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-2-nitrobenzotrifluoride(393-11-3)

Description and Uses

4-Nitro-3-trifluoromethyl aniline is an organic intermediate, which can be used to prepare 4-bromo-2-nitrotrifluorotoluene, an intermediate of medicine and optical waveguide materials, and flutamide, a non steroidal anti androgen drug.

4-Nitro-3-(trifluoromethyl)aniline is a metabolite of Flutamide (F598850) (FLU-1 or M2).

Safety

• Symbol(GHS): GHS07
• Signal word: Warning
• Hazard statements: H315-H319-H335
• Precautionary statements: P261-P264-P271-P280-P302+P352-P305+P351+P338
• target organs: Respiratory system
• PPE: dust mask type N95 (US), Eyeshields, Gloves
• Hazard Codes: Xi,Xn
• Risk Statements: 36/37/38-20/21/22
• Safety Statements: 26-36-36/37
• WGK Germany: 2
• Hazard Note: Irritant
• HS Code: 29214200
• Storage Class: 11 - Combustible Solids
• Hazard Classifications: Eye Irrit. 2; Skin Irrit. 2; STOT SE 3
• REACH Registrations: Active