4-Nitro-2-(trifluoromethyl)aniline
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4-Nitro-2-(trifluoromethyl)aniline
structure -
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CAS No:
121-01-7
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Formula:
C7H5F3N2O2
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Chemical Name:
4-Nitro-2-(trifluoromethyl)aniline
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Synonyms:
Benzenamine,4-nitro-2-(trifluoromethyl)-;o-Toluidine,α,α,α-trifluoro-4-nitro-;4-Nitro-2-(trifluoromethyl)benzenamine;α,α,α-Trifluoro-4-nitro-o-toluidine;4-Nitro-2-(trifluoromethyl)aniline;2-(Trifluoromethyl)-4-nitroaniline;2-Amino-5-nitrobenzotrifluoride;1-Amino-2-trifluoromethyl-4-nitrobenzene;4-Nitro-2-trifluoromethylphenylamine;4-Nitro-2-trifluoromethylbenzenamine
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CAS No:
4-Nitro-2-(trifluoromethyl)aniline Basic Attributes
206.12
206.12
2121347
204-443-2
DTXSID50153095
29214300
Characteristics
71.8
2
Yellow to brown Powder
1.4711 (estimate)
88 °C
298.0±35.0 °C(Predicted)
134.0±25.9 °C
1.525
Store below +30°C.
1.01E-05mmHg at 25°C
Safety Information
III
6.1
2811
3
36/37/38-20/21/22
26-36/37-24/25-36
Xi,Xn
Irritant
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H302 (13.64%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Nitro-2-(trifluoromethyl)aniline Use and Manufacturing
General procedure: To a solution of 4 (1 mmol) and triethylamine (0.1 mL, 1 mmol) in dry THF (10 mL), substituted benzoyl chloride was added dropwise. The reaction mixture was stirred at room temperature for 12h. Then water was added to the mixture which was extracted with dichloromethane. The organic phase was washed with water and brine, dried (Na2SO4), and concentrated. The obtained crude product was purified by column chromatography to give amide 6.
Used as medicine and pesticide intermediate
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
Price Analysis
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4-Nitro-2-(trifluoromethyl)aniline
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