| Identification | More | [Name]
1,2,3-Trifluoro-4-nitrobenzene | [CAS]
771-69-7 | [Synonyms]
1,2,3-TRIFLUORO-4-NITROBENZENE
2,3,4-TRIFLUORO-1-NITROBENZENE
2,3,4-TRIFLUORONITROBENZENE
4-NITRO-1,2,3-TRIFLUOROBENZENE
3,4,5 TRIFLUORONITROBENZEN
2,3,4-Trifluornitrobenzene
4-chloro-2-fluroaniline
2,3,4-TRIFLUORONITROBRNZENE
1-nitro-2,3,4-trifluorobenzene
2,3,4-Trifluoronitrobenzene 99%
2,3,4-Trifluoronitrobenzene99%
2,3,4-TRIFLUORONITROBENZENEOFLOXACIN
1,2,3-Trifluoro-4-nitrobenzene, 4-Nitro-1,2,3-trifluorobenzene
Benzene, 1,2,3-trifluoro-4-nitro- | [EINECS(EC#)]
212-238-4 | [Molecular Formula]
C6H2F3NO2 | [MDL Number]
MFCD00041546 | [Molecular Weight]
177.08 | [MOL File]
771-69-7.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid after melting | [Boiling point ]
92 °C/20 mmHg (lit.) | [density ]
1.541 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.492(lit.)
| [Fp ]
200 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [form ]
clear liquid | [color ]
Light yellow to Yellow to Orange | [Specific Gravity]
1.541 | [BRN ]
2449746 | [InChI]
InChI=1S/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H | [InChIKey]
ARCACZWMYGILNI-UHFFFAOYSA-N | [SMILES]
C1(F)=CC=C([N+]([O-])=O)C(F)=C1F | [CAS DataBase Reference]
771-69-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN2810 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29042090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Acute Tox. 4 Dermal
Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Raw materials And Preparation Products | Back Directory | [Raw materials]
Hydrochloric acid-->Nitric acid-->Fluoroboric acid-->Potassium fluoride-->Sulfanilamide-->2,6-Dichloroaniline-->2,5-Dichloroaniline-->1,2,3-Trifluorobenzene-->3,5-dichloro-4-fluoroaniline-->2,4-DICHLORO-3-FLUORONITROBENZENE-->3,4,5-Trichloronitrobenzene-->3,5-Dichloro-4-fluoronitrobenzene-->1,3-Dichloro-2-fluorobenzene-->3-CHLORO-2-FLUORONITROBENZENE-->Tetrabutylphosphonium bromide | [Preparation Products]
Lomefloxacin-->RUFLOXACIN-->Levofloxacin-->Ofloxacin-->Lomefloxacin hydrochloride-->2,3,4-Trifluorobenzenamine-->2-(2,3-Difluoro-6-nitrophenyl)acetic acid-->2-FLUORORESORCINOL-->2,3-Difluoro-4-nitroanisole |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid after melting | [General Description]
2,3,4-Trifluoronitrobenzene is a fluoronitrobenzene and its biotransformation under methanogenic conditions has been studied by semicontinuous and batch tests. 2,3,4-Trifluoronitrobenzene is an important pharmaceutical intermediate. | [Synthesis]
General procedure for the synthesis of 2,3,4-trifluoronitrobenzene from 2,3,4-trichloronitrobenzene: (2) 240 g of DMSO and 120 g of 2,3,4-trichloronitrobenzene were added to an anhydrous reaction flask with stirring turned on, and the temperature was raised to 75-80 °C under reduced pressure with continuous stirring for 2 hours. Subsequently, 76.8 g of KF and 12 g of TBAB were added to the reaction system and dehydrated under reduced pressure at 75-80 °C for 2 h until no droplets of water fell from the distillation head. (3) The reaction system was slowly warmed up to 180 °C to start the reaction. The reaction process was monitored by gas chromatography (GC), and the reaction was completed when the content of both 2-fluoro-3,4-dichloronitrobenzene and 2,3-dichloro-4-fluoronitrobenzene decreased to less than 0.2% after 10 h. The reaction was completed when the content of 2-fluoro-3,4-dichloronitrobenzene and 2,3-dichloro-4-fluoronitrobenzene dropped below 0.2%. The reaction mixture was cooled to 70-75 °C, filtered, and the filtrate was vacuum distilled and reintroduced into the anhydrous reaction unit. 46 g of KF and 12 g of TBAF were added and dehydrated under reduced pressure at 75-80 °C for 2 h until no water droplets appeared in the distillation head. The reaction temperature was set to 120 °C and ultrasonic power to 20 kHz and the reaction was continued. The reaction was monitored by GC and completed after 2 hours. The reaction mixture was cooled to 70-75°C and filtered and the filtrate was distilled to separate DMSO from the product. The final yield of 2,3,4-trifluoronitrobenzene was 99.7%. | [References]
[1] Patent: CN107325001, 2017, A. Location in patent: Paragraph 0028-0029; 0031-0034; 0036-0039; 0041-0044; 0046 |
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