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Cas Database |
| Name |
5-Nitrofuran-2-acrylaldehyde |
EINECS | 217-499-8 |
| CAS No. | 1874-22-2 | Density | 1.365 g/cm3 |
| PSA | 76.03000 | LogP | 1.92310 |
| Solubility | N/A | Melting Point |
117 °C |
| Formula | C7H5NO4 | Boiling Point | 310.7 °C at 760 mmHg |
| Molecular Weight | 167.121 | Flash Point | 141.7 °C |
| Transport Information | N/A | Appearance | orange-brown crystalline powder |
| Safety | S26-36/37/39 | Risk Codes | R20/21-22-36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Furanacrolein,5-nitro- (6CI,7CI,8CI);(5-Nitrofuryl)acrolein;2-(5-Nitro-2-furyl)acrolein;3-(5-Nitro-2-furyl)acrolein;3-(5-Nitro-2-furyl)propenal;5-Nitro-2-furanacrolein;5-Nitro-2-furylacrolein;5-Nitrofuracrolein;b-(5-Nitro-2-furanyl)acrolein;b-(5-Nitro-2-furyl)acrolein;b-(5-Nitrofuryl)acrolein; |
Article Data | 14 |
5-Nitrofuran-2-acrylaldehyde Synthetic route
- 698-63-5
5-nitrofurane-2-carboxaldehyde
- 2136-75-6
(triphenylphosphoranylidene)acetaldehyde
- 1874-22-2
3-(5-nitrofuran-2-yl)-2-propenal
| Conditions | Yield |
|---|---|
| In toluene for 6h; Reflux; Inert atmosphere; | 93% |
| In dichloromethane at 20℃; Wittig Olefination; | 30% |
| Conditions | Yield |
|---|---|
| In acetic acid | 53% |
| Conditions | Yield |
|---|---|
| With piperidine; acetic acid In benzene at 0 - 74℃; for 17h; | 9% |
| With piperidine | |
| With piperidine; benzene | |
| With piperidine; acetic acid; benzene | |
| With potassium hydroxide Erhitzen des Reaktionsgemisches mit Acetanhydrid; |
- 5341-58-2
3-hydroxy-2-naphthohydrazide
- 1874-22-2
3-(5-nitrofuran-2-yl)-2-propenal
- 1310099-61-6
(E)-3-hydroxy-N'-((E)-3-(5-nitrofuran-2-yl)allylidene)-2-naphthohydrazide
| Conditions | Yield |
|---|---|
| With acetic acid for 2h; | 99% |
- 63128-98-3
4-(2',3',4',6'-tetra-O-acetyl-β-D-glucopyranosyl)-3-thiosemicarbazide
- 1874-22-2
3-(5-nitrofuran-2-yl)-2-propenal
- 86154-76-9
C22H26N4O12S
| Conditions | Yield |
|---|---|
| With acetic acid In methanol for 0.5h; Heating; | 96% |
- 1874-22-2
3-(5-nitrofuran-2-yl)-2-propenal
- 18873-36-4
(E)-β-(5-Nitro-fur-2-yl)-acrylonitril
| Conditions | Yield |
|---|---|
| With perchloric acid; magnesium(II) perchlorate; tris-(2-chloro-ethyl)-amine In 1,4-dioxane; benzene at 35℃; for 1.5h; | 95% |
| With hydrogen azide; magnesium(II) perchlorate In chloroform at 30 - 50℃; for 1.16667h; Schmidt reaction; | 95% |
| Multi-step reaction with 3 steps 1: aqueous ethanol; hydroxylamine 3: pyridine View Scheme | |
| Multi-step reaction with 4 steps 1: aqueous ethanol; hydroxylamine 2: ethanol; hydrogen chloride 4: pyridine View Scheme |
- 7381-30-8
2,2,7,7-tetramethyl-3,6-dioxa-2,7-disilaoctane
- 1874-22-2
3-(5-nitrofuran-2-yl)-2-propenal
- 105562-29-6
5-nitro-2-furanacrolein 1,3-dioxolane
| Conditions | Yield |
|---|---|
| With trimethylsilyl trifluoromethanesulfonate In dichloromethane 1.) -78 deg C, 3 h, 2.) RT, 14 h; | 93% |
| Conditions | Yield |
|---|---|
| In methanol for 3h; Heating; | 90% |
- 1874-22-2
3-(5-nitrofuran-2-yl)-2-propenal
| Conditions | Yield |
|---|---|
| In ethanol for 3h; Heating; | 87% |
| Conditions | Yield |
|---|---|
| In methanol for 3h; Heating; | 86% |
5-Nitrofuran-2-acrylaldehyde Specification
The 5-Nitrofuran-2-acrylaldehyde ,its cas register number is 1874-22-2. The IUPAC name about this chemicals is (E)-3-(5-nitrofuran-2-yl)prop-2-enal .Following are the physical and chemical properties about it: (1)#H bond acceptors: 5 (2)#H bond donors: 0 (3)#Freely Rotating Bonds: 3 (4)Index of Refraction: 1.587 (5)Molar Refractivity: 41.17 cm3 (6)Molar Volume: 122.3 cm3 (7)Surface Tension: 51.9 dyne/cm (8)Enthalpy of Vaporization: 55.15 kJ/mol (9)Vapour Pressure: 0.000591 mmHg at 25 °C . It belongs to the Miscellaneous.
The 5-Nitrofuran-2-acrylaldehyde is a orange-brown crystalline powder and it can be stored in a tightly closed container and cool, dry, well-ventilated area away from incompatible substances. This chemicals is harmful by inhalation, in contact with skin and if swallowed and it irritating to eyes, respiratory system and skin, so if you want to use it, need to wear suitable protective clothing, gloves and eye/face protection, and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
This chemicals can be described computed from structure:
(1)Canonical SMILES: C1=C(OC(=C1)[N+](=O)[O-])C=CC=O (2)Isomeric SMILES: C1=C(OC(=C1)[N+](=O)[O-])/C=C/C=O
(3)InChI: InChI=1S/C7H5NO4/c9-5-1-2-6-3-4-7(12-6)8(10)11/h1-5H/b2-1+
(4)InChIKey: DXWCZMGIIFEEPU-OWOJBTEDSA-N
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