| Identification | More | [Name]
5-Bromo-2-nitrobenzotrifluoride | [CAS]
344-38-7 | [Synonyms]
2-NITRO-5-BROMOBENZOTRIFLUORIDE
4-BROMO-1-NITRO-2-(TRIFLUOROMETHYL)BENZENE
5-BROMO-2-NITRO-ALPHA,ALPHA,ALPHA-TRIFLUOROTOLUENE
5-BROMO-2-NITROBENZOTRIFLUORIDE
5-BROMO-A-A,A-TRIFLUORO-2-NITROTOLUENE
LABOTEST-BB LT01143393
TIMTEC-BB SBB009973
5-Bromo-2-nitrobenzotrifluoride, 97+%
5-Bromo-2-nitrobenzotrifluoride 98%
5-Bromo-2-nitrobenzotrifluoride98%
2-NITRO-5-BROMOBENZOTRIFLUORID
5-nitro-2-nitrobenzotrifluoride | [EINECS(EC#)]
670-400-3 | [Molecular Formula]
C7H3BrF3NO2 | [MDL Number]
MFCD00014706 | [Molecular Weight]
270 | [MOL File]
344-38-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid | [Melting point ]
33-35 °C (lit.) | [Boiling point ]
95-100 °C/5 mmHg (lit.) | [density ]
1,799 g/cm3 | [refractive index ]
1.522-1.524
| [Fp ]
>230 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
soluble in Methanol | [form ]
Liquid | [color ]
Clear yellow | [BRN ]
2650701 | [CAS DataBase Reference]
344-38-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29049090 |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid | [Uses]
5-Bromo-2-nitrobenzotrifluoride serves as a precursor for synthesizing triphenylamine monomers and diamine intermediates. It undergoes palladium-catalyzed coupling with p-anisidine or bis(4-methoxyphenyl)amine to produce A2B and AB2 type methoxy-protected triphenylamine monomers. Alternatively, Ullmann coupling with activated copper in DMF yields a dinitro biphenyl compound, which is subsequently reduced to the diamine monomer 3,3′-bis(trifluoromethyl)-4,4′-diamino-1,1′-biphenyl[3][4]. The compound is completely reduced to the corresponding aniline in 99% yield using an Fe–phenanthroline/C catalyst and hydrazine hydrate. It has also been examined as a reagent doped into skimmed molecular beams for structural and dynamic studies[1][2]. | [Synthesis]
GENERAL PROCEDURE: To a 25 mL round-bottomed flask fitted with a Dimroth condenser (cooled to 10°C) was added 4-nitro-3-(trifluoromethyl)benzoic acid (1.8 mmol), chloroisocyanurate, brominating agent and solvent (8 mL). The mixture was stirred and heated in an oil bath under fluorescent room light (FL) illumination. Upon completion of the reaction, the cooled reaction mixture was filtered through a short silica gel pad, washed with 1 M Na2SO3 aqueous solution, dried over anhydrous Na2SO4, filtered and concentrated in vacuum to give 5-bromo-2-nitrobenzotrifluoride. The resulting product contained 1-5% of the corresponding chlorinated nitro compounds as by-products. The experimental results are detailed in Table 2. Table 2. Results of bromocarboxylation reaction of nitroaromatic carboxylic acids. | [References]
[1] Patent: WO2017/60906, 2017, A1. Location in patent: Paragraph 00122 |
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