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Cas Database |
| Name |
3-Fluoro-4-nitro benzaldehyde |
EINECS | N/A |
| CAS No. | 160538-51-2 | Density | 1.443 g/cm3 |
| PSA | 62.89000 | LogP | 2.06960 |
| Solubility | N/A | Melting Point |
57-58 °C |
| Formula | C7H4FNO3 | Boiling Point | 312 °C at 760mmHg |
| Molecular Weight | 169.112 | Flash Point | 142.5 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes |
 Xi:Irritant; |
|
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
3-Fluoro-4-nitrobenzaldehyde; |
Article Data | 9 |
3-Fluoro-4-nitro benzaldehyde Synthetic route
- 863604-64-2
N-[methyl]-N-[methoxy]3-fluoro-4-nitrobenzamide
- 160538-51-2
3-fluoro-4-nitro-benzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: N-[methyl]-N-[methoxy]3-fluoro-4-nitrobenzamide With diisobutylaluminium hydride In tetrahydrofuran at 0℃; for 0.5h; Stage #2: With hydrogenchloride; water In tetrahydrofuran | 88% |
- 160538-51-2
3-fluoro-4-nitro-benzaldehyde
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid at 70 - 75℃; for 20h; | 86% |
- 503315-74-0
(3-fluoro-4-nitrophenyl)methanol
- 160538-51-2
3-fluoro-4-nitro-benzaldehyde
| Conditions | Yield |
|---|---|
| With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione In ethyl acetate at 70℃; for 2h; Solvent; Temperature; Reagent/catalyst; | 82% |
| With manganese(IV) oxide In dichloromethane at 20℃; | 66% |
- 446-34-4
2-fluoro-4-methyl-1-nitrobenzene
- 160538-51-2
3-fluoro-4-nitro-benzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 2-fluoro-4-methyl-1-nitrobenzene With chromium(VI) oxide; sulfuric acid; acetic anhydride Stage #2: With sulfuric acid; water In ethanol Further stages.; | 50% |
| Stage #1: 2-fluoro-4-methyl-1-nitrobenzene With chromium(VI) oxide; sulfuric acid; acetic acid at 5 - 10℃; for 3h; Stage #2: With water; sodium hydrogencarbonate for 0.25h; Stage #3: With hydrogenchloride; ethanol; water for 0.25h; Heating / reflux; | 29.2% |
| With chromium(VI) oxide; sulfuric acid 1.) acetic anhydride, 0 degC, 3 h; 2.) ethanol, water, 1 h; Yield given. Multistep reaction; |
- 211388-77-1
Acetic acid acetoxy-(3-fluoro-4-nitro-phenyl)-methyl ester
- 160538-51-2
3-fluoro-4-nitro-benzaldehyde
| Conditions | Yield |
|---|---|
| With hydrogenchloride; acetic acid In water at 115℃; for 0.75h; |
- 403-21-4
3-fluoro-4-nitrobenzoic acid
- 160538-51-2
3-fluoro-4-nitro-benzaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 4-methyl-morpholine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 17 h / 20 °C 2: diisobutylaluminium hydride / tetrahydrofuran / 0.5 h / 0 °C View Scheme | |
| Multi-step reaction with 3 steps 1: sulfuric acid / 8 h / 80 °C 2: sodium tetrahydroborate / methanol; tetrahydrofuran / 60 °C / Cooling with ice 3: 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / ethyl acetate / 2 h / 70 °C View Scheme |
| Conditions | Yield |
|---|---|
| In acetonitrile at 120℃; for 1.58333h; Cooling with ice; | 100% |
| In tetrahydrofuran at 20℃; for 2 - 3h; |
- 6702-50-7
3-hydroxy-4-methoxybenzoate
- 160538-51-2
3-fluoro-4-nitro-benzaldehyde
| Conditions | Yield |
|---|---|
| Stage #1: 3-hydroxy-4-methoxybenzoate With sodium hydride In N,N-dimethyl-formamide at 20℃; for 1h; Stage #2: 3-fluoro-4-nitro-benzaldehyde In N,N-dimethyl-formamide at 20℃; for 1h; | 95% |
| Conditions | Yield |
|---|---|
| pyridine In ethanol for 6h; Heating / reflux; | 90% |
- 1224718-12-0
4-(2-(4-bromobenzylthio)acetyl)benzoic acid
- 160538-51-2
3-fluoro-4-nitro-benzaldehyde
- 1224721-89-4
(E)-4-(2-(4-bromobenzylthio)-3-(3-fluoro-4-nitrophenyl)acryloyl)benzoic acid
| Conditions | Yield |
|---|---|
| With ammonium acetate; acetic acid Knoevenagel condensation; Reflux; | 90% |
3-Fluoro-4-nitro benzaldehyde Specification
The CAS registry number of 3-Fluoro-4-nitro benzaldehyde is 160538-51-2. This chemical's molecular formula is C7H4FNO3 and molecular weight is 169.1099632. What's more, its systematic name is called 3-Fluoro-4-nitrobenzaldehyde. In addition, this chemical is irritanting and may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Fluoro-4-nitro benzaldehyde are: (1)ACD/LogP: 1.50; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 62.89 Å2; (7)Index of Refraction: 1.59; (8)Molar Refractivity: 39.54 cm3; (9)Molar Volume: 117.1 cm3; (10)Polarizability: 15.67×10-24 cm3; (11)Surface Tension: 52.2 dyne/cm; (12)Density: 1.443 g/cm3; (13)Flash Point: 142.5 °C; (14)Enthalpy of Vaporization: 55.3 kJ/mol; (15)Boiling Point: 312 °C at 760 mmHg; (16)Vapour Pressure: 0.000544 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=[N+]([O-])c1ccc(cc1F)C=O
(2) InChI: InChI=1/C7H4FNO3/c8-6-3-5(4-10)1-2-7(6)9(11)12/h1-4H
(3) InChIKey: BWUIGISQVCIQBT-UHFFFAOYAD
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