Benzene, 1-azido-4-nitro-
- Formula: C6H4N4O2
- Molecular weight: 164.1216
- IUPAC Standard InChI: InChI=1S/C6H4N4O2/c7-9-8-5-1-3-6(4-2-5)10(11)12/h1-4H
- IUPAC Standard InChIKey: CZZVSJPFJBUBDK-UHFFFAOYSA-N
- CAS Registry Number: 1516-60-5
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: p-Azidonitrobenzene; p-Nitrophenyl azide; 1-Azido-4-nitrobenzene; 4-Nitrophenyl azide; 1-Azido-4-nitrobenzen
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Gas phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | 389.7 ± 5.2 | kJ/mol | Ccb | Finch, Gardner, et al., 1997 |
Condensed phase thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°solid | 308.7 ± 4.3 | kJ/mol | Ccb | Finch, Gardner, et al., 1997 | |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°solid | -3241.4 ± 4.2 | kJ/mol | Ccb | Finch, Gardner, et al., 1997 |
Phase change data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔsubH° | 81. ± 3. | kJ/mol | E | Finch, Gardner, et al., 1997 | ALS |
Enthalpy of fusion
| ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
|---|---|---|---|---|
| 17.1 | 345.4 | DSC | Finch, Gardner, et al., 1997 | AC |
Reaction thermochemistry data
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
+
= C16H16N4O2
By formula: C6H4N4O2 + C10H12 = C16H16N4O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -151. | kJ/mol | Cm | Samuilov, Movchan, et al., 1985 | solid phase; solvent: Chlorobenzene |
+
= C16H21O2
By formula: C10H17N + C6H4N4O2 = C16H21O2
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -99. | kJ/mol | Cm | Samuilov, Movchan, et al., 1985 | solid phase; solvent: Toluene |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Finch, Gardner, et al., 1997
Finch, A.; Gardner, P.J.; Head, A.J.; Xiaoping, W.,
The enthalpy of formation of 4-nitrophenyl azide,
Thermochim. Acta, 1997, 298, 191-194. [all data]
Samuilov, Movchan, et al., 1985
Samuilov, Ya.D.; Movchan, A.I.; Solov'eva, S.E.; Konovalov, A.I.,
Thermochemical and kinetic study of 1,3-dipolar cycloadditions involving aryl azides and nitrones,
Zh. Org. Khim., 1985, 21, 1772-1776. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions ΔfusH Enthalpy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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