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Cas Database |
| Name |
4-NITROBENZYL ACETATE |
EINECS | N/A |
| CAS No. | 619-90-9 | Density | 1.3544 (rough estimate) |
| PSA | 72.12000 | LogP | 2.18110 |
| Solubility | N/A | Melting Point |
78°C |
| Formula | C9H9 N O4 | Boiling Point | 331.83°C (rough estimate) |
| Molecular Weight | 195.175 | Flash Point | 141.4oC |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benzenemethanol,4-nitro-, acetate (ester) (9CI); Benzyl alcohol, p-nitro-, acetate (6CI,7CI);Benzyl alcohol, p-nitro-, acetate (ester) (8CI); 4-Nitrobenzyl acetate; Aceticacid, p-nitrobenzyl ester; NSC 403575; p-Nitrobenzyl acetate |
Article Data | 148 |
4-NITROBENZYL ACETATE Synthetic route
| Conditions | Yield |
|---|---|
| 5,11,17,23,29,35-Hexa-p-tert-butyl-37,38,39,40,41,42-hexakis-(3,6,9-trioxadecyloxy)calix<6>arene In dichloromethane at 40℃; for 24h; | 100% |
| 5,11,17,23,29,35-Hexa-p-tert-butyl-37,38,39,40,41,42-hexakis-(3,6,9-trioxadecyloxy)calix<6>arene In dichloromethane; water at 40℃; for 24h; | 100% |
| "octopus-type" calixarene 1 In dichloromethane; water at 40℃; for 24h; Product distribution; other catalysts, content of water, other carboxylates; | 100% |
| With ethanol | |
| 5,11,17,23,29,35-hexa-....-calix<6>arene In dichloromethane at 40℃; for 24h; influence of other catalysts; |
| Conditions | Yield |
|---|---|
| With triethylamine In dichloromethane at 20℃; for 3h; | 100% |
| With hydroxyapatite supported copper(I) oxide In acetonitrile at 50℃; for 0.0833333h; Reagent/catalyst; | 93% |
| Conditions | Yield |
|---|---|
| K5 In acetonitrile at 20℃; for 0.25h; | 99% |
| With thalium(III) chloride tetrahydrate at 20℃; for 0.116667h; | 99% |
| With polyvinylpolypyrrolidone-bound boron trifluoride In acetonitrile at 20℃; for 2h; | 99% |
| Conditions | Yield |
|---|---|
| With bismuth(III) chloride for 1.25h; Heating; | 99% |
| With K5 for 0.75h; Heating; | 98% |
| With potassium fluoride at 80℃; for 3h; | 97% |
| Conditions | Yield |
|---|---|
| With C12F18O13Zn4 for 18h; Reflux; Inert atmosphere; | 99% |
| With heterogeneous zinc/imidazole catalyst at 90℃; for 6h; Inert atmosphere; Schlenk technique; | 94% |
| With cerium(IV) trifluoromethanesulfonate for 4h; Acetylation; Heating; | 90% |
| Conditions | Yield |
|---|---|
| With C12F18O13Zn4 for 18h; Reflux; Inert atmosphere; | 99% |
| iodine at 20℃; for 6h; | 93% |
| With lipase from Candida rugosa at 50℃; for 48h; Enzymatic reaction; | 79.7% |
| Conditions | Yield |
|---|---|
| With C12F18O13Zn4 at 90℃; for 18h; Inert atmosphere; | 99% |
| Conditions | Yield |
|---|---|
| With platinum; 1-butyl-3-methylimidazolium Tetrafluoroborate at 20 - 60℃; for 2h; Inert atmosphere; Electrochemical reaction; Green chemistry; | 98% |
| With 1,3-bis(2,4,6-trimethylphenyl)imidazole hydrochloride; potassium tert-butylate In benzene at 80℃; for 10h; Inert atmosphere; | 87% |
| With tetraethylammonium bicarbonate at 60℃; for 2h; | 87% |
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[bis(acetoxy)iodo]benzene
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(E)-1-(4-nitrobenzylidene)hydrazine
- 619-90-9
4-nitrobenzyl acetate
| Conditions | Yield |
|---|---|
| 97% |
| Conditions | Yield |
|---|---|
| bismuth(lll) trifluoromethanesulfonate In acetonitrile at 20℃; for 0.333333h; | 97% |
4-NITROBENZYL ACETATE Chemical Properties
IUPAC Name: (4-Nitrophenyl)methyl acetate
Synonyms:4-Nitrobenzyl acetate ; 4-Nitrobenzylacetat ; Acetic acid 4-nitro-benzyl ester ; Benzenemethanol, 4-nitro-, acetate (ester) ; 4-Nitro-benzenemethanol acetate ; Acetic Acid 4-Nitrobenzyl Ester ; Acetic acid, p-nitrobenzyl ester ; Benzyl alcohol, p-nitro-, acetate
CAS NO: 619-90-9
Molecular Formula of 4-Nitrobenzyl acetate (CAS NO.619-90-9) : C9H9NO4
Molecular Weight of 4-Nitrobenzyl acetate (CAS NO.619-90-9) : 195.17
Molecular Structure of 4-Nitrobenzyl acetate (CAS NO.619-90-9) : 
EINECS: 210-618-4
Index of Refraction: 1.545
Surface Tension: 47.2 dyne/cm
Density: 1.266 g/cm3
Flash Point: 141.4 °C
Melting point: 78°C
Enthalpy of Vaporization: 54.55 kJ/mol
Boiling Point: 305.1 °C at 760 mmHg
Vapour Pressure: 0.00084 mmHg at 25°C
4-NITROBENZYL ACETATE Uses
4-Nitrobenzyl acetate (CAS NO.619-90-9) is used as intermediate in organic synthesis.
4-NITROBENZYL ACETATE Toxicity Data With Reference
| 1. | mmo-sat 2600 nmol/L | ENMUDM Environmental Mutagenesis. 3 (1981),11. |
4-NITROBENZYL ACETATE Consensus Reports
Reported in EPA TSCA Inventory.
4-NITROBENZYL ACETATE Safety Profile
RTECS DP0660000
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