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314-41-0

314-41-0 Structure

314-41-0 Structure
IdentificationMore
[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 PropertiesBack 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 DataBack 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 InformationBack 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]

1,2,3,5-Tetrafluorobenzene

2367-82-0

2,3,4,6-TETRAFLUORONITROBENZENE

314-41-0

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 DetailBack 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
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

314-41-0(sigmaaldrich)
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