N-Nitrosodiphenylamine
- Formula: C12H10N2O
- Molecular weight: 198.2206
- IUPAC Standard InChIKey: UBUCNCOMADRQHX-UHFFFAOYSA-N
- CAS Registry Number: 86-30-6
- 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: Benzenamine, N-nitroso-N-phenyl-; Diphenylamine, N-nitroso-; Diphenylnitrosamine; N-Nitroso-N-phenylaniline; N,N-Diphenylnitrosamine; Nitrosodiphenylamine; Redax; Retarder J; Vulcatard A; Vulkalent A; Vultrol; Diphenylnitrosamin; N-Nitrosodifenylamin; NCI-C02880; Vulcatard; Curetard A; Delac J; Difenylnitrosamin; Diphenyl N-nitrosoamine; Naugard tjb; Ndpa; NdphA; TJB; Vulcalent A; N-Nitroso-N-diphenylamine; N,N-Diphenyl-N-nitrosoamine; NSC 585; Ortard; Sconoc
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Condensed phase thermochemistry data
Go To: Top, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
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 | 54.3 ± 1.5 | kcal/mol | Ccb | Medard and Thomas, 1954 | Heat of combustion corrected for pressure |
ΔfH°solid | 56.72 | kcal/mol | Ccb | Medard, 1954 | Heat of combustion corrected for pressure |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°solid | -1524.5 ± 1.5 | kcal/mol | Ccb | Medard and Thomas, 1954 | Heat of combustion corrected for pressure |
ΔcH°solid | -1526.91 | kcal/mol | Ccb | Medard, 1954 | Heat of combustion corrected for pressure |
IR Spectrum
Go To: Top, Condensed phase thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | Copyright (C) 1987 by the Coblentz Society Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | K. K. DEB-NCI FREDERICK CANCER RESEARCH CENTER |
Source reference | COBLENTZ NO. 9016 |
Date | 1973/08/15 |
Name(s) | 2-oxo-1,1-diphenylhydrazine REDAX |
State | SOLID (1.2 mg / 300 mg KBr DISC) PURITY - ANALYTICAL |
Instrument | PERKIN-ELMER 180 (GRATING) |
Instrument parameters | GRATINGS: 2000, 1000, 500, 250 CM-1; FILTER CHANGE: 2970, 2000, 1485, 1000, 743, 500, 372, 250, 186 CM-1. |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH II) FROM HARD COPY |
Melting point | 65 C |
Boiling point | 164 C |
Mass spectrum (electron ionization)
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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Due to licensing restrictions, this spectrum cannot be downloaded.
Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | Japan AIST/NIMC Database- Spectrum MS-NW- 726 |
NIST MS number | 229097 |
Gas Chromatography
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-52 | 210. | 1865. | Gough and Webb, 1974 | He; Column length: 1.5 m |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 274.9 | Donnelly, Abdel-Hamid, et al., 1993 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min |
References
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Medard and Thomas, 1954
Medard, L.; Thomas, M.,
Chaleurs de combustion de vingt-quatre substances explosives ou apparentees a des explosifs,
Mem. Poudres, 1954, 36, 97-127. [all data]
Medard, 1954
Medard, L.,
Tables thermochimiques a l'usage des techniciens des substances explosives,
Mem. Artillerie Fr. Sci. Tech. Armement, 1954, 28, 415-492. [all data]
Gough and Webb, 1974
Gough, T.A.; Webb, K.S.,
The Trace Detection of Some Non-Volatile Nitrosamines by Combined Gas Chromatography and Mass Spectrometry,
J. Chromatogr., 1974, 95, 1, 59-63, https://doi.org/10.1016/S0021-9673(00)84095-9
. [all data]
Donnelly, Abdel-Hamid, et al., 1993
Donnelly, J.R.; Abdel-Hamid, M.S.; Jeter, J.L.; Gurka, D.F.,
Application of gas chromatographic retention properties to the identification of environmental contaminants,
J. Chromatogr., 1993, 642, 1-2, 409-415, https://doi.org/10.1016/0021-9673(93)80106-I
. [all data]
Notes
Go To: Top, Condensed phase thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
ΔcH°solid Enthalpy of combustion of solid at standard conditions ΔfH°solid Enthalpy of formation of solid at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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