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Cas Database |
| Name |
4-Benzofurazancarboxaldehyde |
EINECS | 682-565-9 |
| CAS No. | 32863-32-4 | Density | 1.418 g/cm3 |
| PSA | 55.99000 | LogP | 1.03530 |
| Solubility | N/A | Melting Point |
100-102°C |
| Formula | C7H4N2O2 | Boiling Point | 277.254 °C at 760 mmHg |
| Molecular Weight | 148.121 | Flash Point | 121.479 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-Benzofurazancarboxaldehyde(8CI);2,1,3-Benzoxadiazole-4-aldehyde;4-Benzofurazanylcarboxaldehyde;4-Formyl-2,1,3-benzoxadiazole; |
Article Data | 8 |
4-Benzofurazancarboxaldehyde Synthetic route
- 175609-19-5
4-hydroxymethylbenzofurazan
- 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde
| Conditions | Yield |
|---|---|
| With fluorosulfonyl fluoride; potassium carbonate; dimethyl sulfoxide at 20℃; for 12h; chemoselective reaction; | 99% |
| With manganese(IV) oxide In chloroform for 2h; Ambient temperature; | 92% |
| With pyridinium chlorochromate In dichloromethane at 0 - 30℃; for 2h; | |
| With fluorosulfonyl fluoride; potassium carbonate; dimethyl sulfoxide at 20℃; |
- 29091-40-5
4-methyl-benzo[1,2,5]oxadiazole
- 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde
| Conditions | Yield |
|---|---|
| With selenium(IV) oxide at 160℃; for 8h; | 82% |
- 32863-30-2
4-(bromomethyl)benzo[c][1,2,5]oxadiazole
- 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate In dimethyl sulfoxide at 100 - 150℃; Inert atmosphere; | 71.6% |
| Multi-step reaction with 2 steps 1: 77 percent / calcium carbonate, water / dioxane / 3 h / Heating 2: 92 percent / manganese dioxide / CHCl3 / 2 h / Ambient temperature View Scheme |
- 273-09-6
benzofurazan
- 68-12-2, 33513-42-7
N,N-dimethyl-formamide
- 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde
| Conditions | Yield |
|---|---|
| With lithium diisopropyl amide In tetrahydrofuran at -78℃; | 59% |
- 4887-83-6
4-methylbenzimidazole
- 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: tetrachloromethane; N-Bromosuccinimide; dibenzoyl peroxide / 80 - 85 °C 2: sodium hydrogencarbonate / dimethyl sulfoxide / 100 - 150 °C / Inert atmosphere View Scheme |
- 65193-87-5
2-cyanoethylacetoacetate
- 21731-17-9
methyl 3-aminocrotonate
- 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde
| Conditions | Yield |
|---|---|
| In isopropyl alcohol Inert atmosphere; Reflux; | 97% |
- 54527-68-3
2-chloroethyl acetoacetate
- 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde
- 210579-35-4
2-[1-Benzo[1,2,5]oxadiazol-4-yl-meth-(E)-ylidene]-3-oxo-butyric acid 2-chloro-ethyl ester
| Conditions | Yield |
|---|---|
| With hydrogenchloride In chloroform for 168h; Ambient temperature; | 95% |
- 885518-50-3
4-amino-6-bromo-1H-indazole
- 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde
| Conditions | Yield |
|---|---|
| With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; trifluoroacetic acid In methanol; dichloromethane at 45℃; for 4h; | 92% |
- 32863-32-4
benzo[c][1,2,5]oxadiazole-4-carbaldehyde
- 175609-19-5
4-hydroxymethylbenzofurazan
| Conditions | Yield |
|---|---|
| With sodium tetrahydroborate In methanol at 0℃; | 82% |
| Conditions | Yield |
|---|---|
| With ammonium carbonate at 70℃; | 79.5% |
| With ammonium hydroxide In ethanol at 120℃; for 0.166667h; Hantzsch Dihydropyridine Synthesis; Flow reactor; | 76% |
4-Benzofurazancarboxaldehyde Specification
The 4-Benzofurazancarboxaldehyde with the CAS number 32863-32-4 is also called 4-Formyl-2,1,3-benzoxadiazole. Both the systematic name and IUPAC name are 2,1,3-benzoxadiazole-4-carbaldehyde. Its molecular formula is C7H4N2O2. The product category is Aldehyde. This chemical is a synthetic intermediate for the production of Isradipine.
The properties of the chemical are: (1)ACD/LogP: 0.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 96; (8)ACD/KOC (pH 7.4): 96; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.99Å2; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 39.33 cm3; (15)Molar Volume: 104.457 cm3; (16)Polarizability: 15.592×10-24cm3; (17)Surface Tension: 66.63 dyne/cm; (18)Enthalpy of Vaporization: 51.581 kJ/mol; (19)Vapour Pressure: 0.005 mmHg at 25°C.
While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1cccc2nonc12
(2)InChI: InChI=1/C7H4N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H
(3)InChIKey: YBBRQAXNTWMMFZ-UHFFFAOYAP
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