3-Nitro-5-(trifluoromethyl)benzenamine
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3-Nitro-5-(trifluoromethyl)benzenamine
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CAS No:
401-94-5
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Formula:
C7H5F3N2O2
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Chemical Name:
3-Nitro-5-(trifluoromethyl)benzenamine
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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
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CAS No:
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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InquiryCAS No.: 401-94-5Grade: Pharmaceutical GradeContent: 99%
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3-Nitro-5-(trifluoromethyl)benzenamine
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