| Identification | More | [Name]
2,3,4,6-TETRAFLUORONITROBENZENE | [CAS]
314-41-0 | [Synonyms]
2,3,4,6-TETRAFLUORONITROBENZENE
1,2,3,5-Tetrafluoro-4-nitrobenzene
Benzene, 1,2,3,5-tetrafluoro-4-nitro-
2,3,4,6-TETRAFLUORONITROBENZENE, 97+%
5-fluro-2-methylaniline
2,3,4,6-Tetrafluoronitrobenzene 98%
2,3,4,6-Tetrafluoronitrobenzene98%
1-Nitro-2,3,4,6-tetrafluorobenzene | [EINECS(EC#)]
206-246-7 | [Molecular Formula]
C6HF4NO2 | [MDL Number]
MFCD00011687 | [Molecular Weight]
195.07 | [MOL File]
314-41-0.mol |
| Chemical Properties | Back Directory | [Appearance]
yellow liquid | [Melting point ]
-5 | [Boiling point ]
78-79°C 20mm | [density ]
1.511 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.464(lit.)
| [Fp ]
160 °F
| [storage temp. ]
Sealed in dry,2-8°C | [form ]
liquid | [Specific Gravity]
1.511 | [Stability:]
Stable. Incompatible with strong oxidizing agents, strong bases. Combustible. | [InChI]
1S/C6HF4NO2/c7-2-1-3(8)6(11(12)13)5(10)4(2)9/h1H | [InChIKey]
FDLCUAUNAWWSBX-UHFFFAOYSA-N | [SMILES]
[O-][N+](=O)c1c(F)cc(F)c(F)c1F | [CAS DataBase Reference]
314-41-0(CAS DataBase Reference) | [EPA Substance Registry System]
Benzene, 1,2,3,5-tetrafluoro-4-nitro- (314-41-0) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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 . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2904990090 | [Storage Class]
10 - Combustible liquids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
yellow liquid | [Uses]
Molluscicidal activity of 2,3,4,6-tetrafluoronitrobenzene against Biomphalaria glabrata has been investigated. Palladium-catalyzed cross-coupling reactions of 2,3,4,6-tetrafluoronitrobenzene with alkyne derivatives has been studied. Reaction of 2,3,4,6-tetrafluoronitrobenzene with 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene in the presence of water molecules in acetonitrile has been investigated. | [General Description]
Molluscicidal activity of 2,3,4,6-tetrafluoronitrobenzene against Biomphalaria glabrata has been investigated. Palladium-catalyzed cross-coupling reactions of 2,3,4,6-tetrafluoronitrobenzene with alkyne derivatives has been studied. Reaction of 2,3,4,6-tetrafluoronitrobenzene with 7-methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene in the presence of water molecules in acetonitrile has been investigated. | [Synthesis]
For the large-scale synthesis of 1,2,3,5-tetrafluoro-4-nitrobenzene, a mixed solution of concentrated nitric acid (990 g) in concentrated sulfuric acid (973 mL) was first pre-cooled, and then the mixed solution was slowly added to a cold solution of 1,2,3,5-tetrafluorobenzene (973.1 g) dissolved in concentrated sulfuric acid (2,920 mL) at temperatures ranging from 0 °C to 10 °C, with the addition process being controlled to be completed within 1.5 The addition process was completed within 1.5 hours. After the addition was completed, the reaction temperature was maintained between 0 °C and 10 °C, and the yellow reaction solution was continued to be stirred for 1 hour until the analysis confirmed the completion of the reaction. Subsequently, the reaction solution was slowly poured into water (9730 g) that had been pre-cooled to below 25 °C, and dichloromethane (9730 mL) was added for extraction. After separation of the organic phase, it was washed twice with deionized water (10 L). The dichloromethane layer was concentrated to give a yellow oil. Finally, the oily substance was distilled under reduced pressure (2.5 mbar) at 70 °C to 75 °C to give a yellow oily product with 98% purity and 72.4% yield. | [References]
[1] Journal of Organic Chemistry, 1995, vol. 60, # 22, p. 7348 - 7350
[2] Patent: US2012/316149, 2012, A1. Location in patent: Page/Page column 11
[3] Patent: WO2012/168884, 2012, A1. Location in patent: Page/Page column 26; 27
[4] Russian Chemical Bulletin, 1998, vol. 47, # 5, p. 924 - 927
[5] Journal of the American Chemical Society, 1951, vol. 73, p. 153 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
2,3,4,6-TETRAFLUORONITROBENZENE(314-41-0)MS
2,3,4,6-TETRAFLUORONITROBENZENE(314-41-0)1HNMR
2,3,4,6-TETRAFLUORONITROBENZENE(314-41-0)IR1
2,3,4,6-TETRAFLUORONITROBENZENE(314-41-0)Raman
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