| Identification | More | [Name]
4-FLUORO-3-NITROBENZALDEHYDE | [CAS]
42564-51-2 | [Synonyms]
3-NITRO-4-FLUOROBENZALDEHYDE
4-FLUORO-3-NITROBENZALDEHYDE | [EINECS(EC#)]
642-530-0 | [Molecular Formula]
C7H4FNO3 | [MDL Number]
MFCD01861388 | [Molecular Weight]
169.11 | [MOL File]
42564-51-2.mol |
| Chemical Properties | Back Directory | [Appearance]
White to tan crystalline powder | [Melting point ]
45-47 °C (lit.) | [Boiling point ]
286.0±25.0 °C(Predicted) | [density ]
1.443±0.06 g/cm3(Predicted) | [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Crystalline Powder | [color ]
White to tan | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C7H4FNO3/c8-6-2-1-5(4-10)3-7(6)9(11)12/h1-4H | [InChIKey]
ILKWFRCNNILIJW-UHFFFAOYSA-N | [SMILES]
C(=O)C1=CC=C(F)C([N+]([O-])=O)=C1 | [CAS DataBase Reference]
42564-51-2(CAS DataBase Reference) |
| 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
| [HS Code ]
29130000 | [Storage Class]
13 - Non Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
White to tan crystalline powder | [Uses]
4-Fluoro-3-nitrobenzaldehyde is a biochemical reagent that can be used as a biological material or organic compound for life science related research. | [Synthesis]
General procedure for the synthesis of 4-fluoro-3-nitrobenzaldehyde from 3-nitro-4-fluorobenzyl alcohol: a dimethyl sulfoxide (12 mL) suspension of the pyridine-sulfur trioxide complex (4.65 g, 29.2 mmol) was added to a solution containing 4-fluoro-3-nitrobenzyl alcohol (1.0 g, 5.84 mmol) and triethylamine (4.07 mL, 29.2 mmol) in a dichloromethane (20 mL) solution. The reaction mixture was stirred at room temperature for 15 minutes. After completion of the reaction, the reaction solution was diluted with ether (150 mL), washed sequentially with water, 5% potassium bisulfate solution and water, and the organic layer was dried with anhydrous magnesium sulfate. The solvent was removed by distillation under reduced pressure. The residue was purified by silica gel column chromatography [eluent: hexane-ethyl acetate (5:1)] to afford colorless crystalline 4-fluoro-3-nitrobenzaldehyde (0.86 g, 87% yield). The melting point of the product was 37-38 °C. 1H-NMR (CDCl3) δ: 7.51 (1H, t, J = 9.4 Hz), 8.10-8.30 (1H, m), 8.60 (1H, dd, J = 7.4, 2.2 Hz), 10.05 (1H, s). | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2015, vol. 25, # 23, p. 5546 - 5550
[2] Patent: US2003/78251, 2003, A1
[3] Patent: WO2015/57938, 2015, A1. Location in patent: Page/Page column 52
[4] Patent: CN107400092, 2017, A. Location in patent: Paragraph 0293; 0295; 0300-0302
[5] Patent: CN108264511, 2018, A. Location in patent: Paragraph 0280; 0283; 0288-0290 |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Alfa Aesar
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400-6106006 |
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http://chemicals.thermofisher.cn |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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+86 (21) 6435-5022 |
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China Langchem Inc.
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0086-21-58956006 |
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www.chemicalbook.com/ShowSupplierProductsList19141/0_EN.htm |
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