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3-Nitro-5-(trifluoromethyl)benzenamine

3-Nitro-5-(trifluoromethyl)benzenamine structure

3-Nitro-5-(trifluoromethyl)benzenamine 

structure
  • CAS No:

    401-94-5

  • Formula:

    C7H5F3N2O2

  • Chemical Name:

    3-Nitro-5-(trifluoromethyl)benzenamine

  • Synonyms:

    Benzenamine,3-nitro-5-(trifluoromethyl)-;m-Toluidine,α,α,α-trifluoro-5-nitro-;3-Nitro-5-(trifluoromethyl)benzenamine;3-Trifluoromethyl-5-nitroaniline;5-Trifluoromethyl-3-nitroaniline;3-Nitro-5-trifluoromethylaniline;3-Amino-5-nitrobenzotrifluoride

  • Categories:

    Organic Chemistry  >  Organic Fluorine Compound

3-Nitro-5-(trifluoromethyl)benzenamine Basic Attributes

206.12

206.12

DTXSID00379667

2921420090

Characteristics

71.8

2

1.5±0.1 g/cm3

80-81.5 °C

280.7°C at 760 mmHg

123.5±27.3 °C

1.525

Safety Information

6.1

2811

20/21/22-36/37/38

26-36/37/39-36

Xi,Xn

Irritant

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, P501

H302

3-Nitro-5-(trifluoromethyl)benzenamine Use and Manufacturing

General procedure: A substituted aniline (3.0 mmol) and CDI (3.0 mmol) were dissolvedin anhydrous dichloromethane (15 mL) and the reaction was stirred atroom temperature for 1 h under a nitrogen atmosphere. The solvent wasthen removed under reduced pressure, yielding the crude carbamoylimidazolesas solids. The carbamoylimidazoles were then dissolved indichloromethane (5 mL), and added to a solution of amine 13a or 13b(2.0 mmol) in dichloromethane (15 mL). The reaction was then left tostir for 1 h at room temperature. Dichloromethane (50 mL) was thenadded, and the organic layer was washed with water (3×100 mL). Theorganic layer was dried over Na2SO4 and concentrated under reducedpressure. The product was purified on silica gel by step-wise gradientelution with dichloromethane/ethyl acetate (100:0 to 90:10).

Computed Properties

Molecular Weight:206.12
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Exact Mass:206.03031189
Monoisotopic Mass:206.03031189
Topological Polar Surface Area:71.8
Heavy Atom Count:14
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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