| Identification | More | [Name]
5-Fluoro-2-nitrobenzadehyde | [CAS]
395-81-3 | [Synonyms]
2-NITRO-5-FLUOROBENZALDEHYDE
5-FLUORO-2-NITROBENZALDEHYDE
5-Fluoro-2-nitrobenzaldehyde 98%
5-Fluoro-2-nitrobenzaldehyde98%
5-Fluoro-2-nitrobenzadehyde | [EINECS(EC#)]
206-903-8 | [Molecular Formula]
C7H4FNO3 | [MDL Number]
MFCD00153175 | [Molecular Weight]
169.11 | [MOL File]
395-81-3.mol |
| Chemical Properties | Back Directory | [Melting point ]
92-94°C | [Boiling point ]
153°C 23mm | [density ]
1.443±0.06 g/cm3(Predicted) | [Fp ]
>110°C | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [Water Solubility ]
Insoluble in water | [form ]
powder to crystal | [color ]
White to Light red to Green | [Sensitive ]
Air Sensitive | [BRN ]
1869010 | [InChI]
InChI=1S/C7H4FNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-4H | [InChIKey]
KKAFVHUJZPVWND-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC(F)=CC=C1[N+]([O-])=O | [CAS DataBase Reference]
395-81-3(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [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:Wear suitable protective clothing . | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29124990 |
| Hazard Information | Back Directory | [Uses]
5-Fluoro-2-nitrobenzaldehyde can be used as an intermediate in pharmaceutical chemistry and organic synthesis, and is used to prepare herbicides, plant growth regulators, etc. | [Synthesis]
General procedure for the synthesis of 5-fluoro-2-nitrobenzaldehyde from 5-fluoro-2-nitrobenzyl alcohol: 5-fluoro-2-nitrobenzyl alcohol (13.92 g, 81.08 mmol) was dissolved in dichloromethane (284 mL). To the solution was added 4?molecular sieves (73 g) and pyridinium dichromate (36.58 g, 97.3 mmol). The reaction mixture was stirred at 20 °C for 6 hours. After completion of the reaction, the crude reaction mixture was filtered through a short silica gel column. The filtrate was concentrated under reduced pressure to remove the solvent and the residue was purified by fast column chromatography (silica gel, 10-20% ethyl acetate/hexane as eluent) to afford 9.43 g (69% yield) of the target compound 5-fluoro-2-nitrobenzaldehyde as a colorless oil.1H-NMR (CDCl3) data: δ 10.44 (d, 1H), 8.22 (dd, 1H) , 7.62 (dd, 1H), 7.41 (ddd, 1H). | [References]
[1] Journal of Medicinal Chemistry, 2004, vol. 47, # 16, p. 3934 - 3937
[2] Patent: WO2003/76442, 2003, A1. Location in patent: Page/Page column 65 |
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