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Basic Information
CAS No.: 619-90-9
Name: ACETIC ACID 4-NITROBENZYL ESTER
Article Data: 148
Molecular Structure:
Molecular Structure of 619-90-9 (ACETIC ACID 4-NITROBENZYL ESTER)
Formula: C9H9 N O4
Molecular Weight: 195.175
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
Density: 1.3544 (rough estimate)
Melting Point: 78°C
Boiling Point: 331.83°C (rough estimate)
Flash Point: 141.4oC
Safety: Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
PSA: 72.12000
LogP: 2.18110
Synthetic route
127-08-2

potassium acetate

100-11-8

1-bromomethyl-4-nitro-benzene

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
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;
619-73-8

4-nitrobenzyl chloride

75-36-5

acetyl chloride

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
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%
619-73-8

4-nitrobenzyl chloride

108-24-7

acetic anhydride

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
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%
619-73-8

4-nitrobenzyl chloride

64-19-7

acetic acid

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
With bismuth(III) chloride for 1.25h; Heating;99%
With K5 for 0.75h; Heating;98%
With potassium fluoride at 80℃; for 3h;97%
619-73-8

4-nitrobenzyl chloride

141-78-6

ethyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
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%
108-05-4

vinyl acetate

619-73-8

4-nitrobenzyl chloride

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
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%
619-73-8

4-nitrobenzyl chloride

122-79-2

Phenyl acetate

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
With C12F18O13Zn4 at 90℃; for 18h; Inert atmosphere;99%
108-22-5

Isopropenyl acetate

619-73-8

4-nitrobenzyl chloride

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
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%
3240-34-4

[bis(acetoxy)iodo]benzene

175921-95-6

(E)-1-(4-nitrobenzylidene)hydrazine

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
97%
14856-73-6

4-nitrobenzyl trimethylsilyl ether

108-24-7

acetic anhydride

619-90-9

4-nitrobenzyl acetate

Conditions
ConditionsYield
bismuth(lll) trifluoromethanesulfonate In acetonitrile at 20℃; for 0.333333h;97%
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619-73-8
106-49-0
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Chemistry

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

Uses

  4-Nitrobenzyl acetate (CAS NO.619-90-9) is used as intermediate in organic synthesis.

Toxicity Data With Reference

1.    

mmo-sat 2600 nmol/L

    ENMUDM    Environmental Mutagenesis. 3 (1981),11.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

 RTECS DP0660000