Benzenamine, 2-nitro-N-phenyl-
- Formula: C12H10N2O2
- Molecular weight: 214.2200
- IUPAC Standard InChIKey: RUKISNQKOIKZGT-UHFFFAOYSA-N
- CAS Registry Number: 119-75-5
- 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: Diphenylamine, 2-nitro-; o-Nitro-N-phenylaniline; o-Nitrodiphenylamine; C.I. 10335; N-Phenyl-o-Nitroaniline; Sudan Yellow 1339; 2-Nitrodiphenylamine; o-(Phenylamino)nitrobenzene; 2-Nitro-N-phenylaniline; N-Phenyl-2-nitrobenzenamine; NSC 105613
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Phase change data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics 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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tfus | 347.9 | K | N/A | Witschonke, 1954 | Metastable crystal phase; Uncertainty assigned by TRC = 0.3 K; TRC |
Tfus | 348.1 | K | N/A | Witschonke, 1954 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Tfus | 348.1 | K | N/A | Witschonke, 1954 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.15 K; TRC |
Enthalpy of sublimation
ΔsubH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
24.12 | 340.5 | A | Stephenson and Malanowski, 1987 | Based on data from 335. to 346. K.; 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: John E. Bartmess
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
C12H9N2O2- + =
By formula: C12H9N2O2- + H+ = C12H10N2O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 328.3 ± 2.0 | kcal/mol | IMRE | Koppel, Koppel, et al., 1998 | gas phase |
Gas phase ion energetics 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: John E. Bartmess
De-protonation reactions
C12H9N2O2- + =
By formula: C12H9N2O2- + H+ = C12H10N2O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrG° | 328.3 ± 2.0 | kcal/mol | IMRE | Koppel, Koppel, et al., 1998 | gas phase |
Mass spectrum (electron ionization)
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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: 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 | NIST Mass Spectrometry Data Center, 1998. |
NIST MS number | 291180 |
Gas Chromatography
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | OV-101 | 1886. | Alley and Dykes, 1972 | 6. K/min; Tstart: 70. C; Tend: 220. C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 335.7 | Tucminen, Wickstrom, et al., 1986 | Program: not specified |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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.
Witschonke, 1954
Witschonke, C.R.,
Freezing point and purity data for some organic compounds,
Anal. Chem., 1954, 26, 562-4. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Koppel, Koppel, et al., 1998
Koppel, I.; Koppel, J.; Maria, P.C.; Gal, J.F.; Notario, R.; Vlasov, V.M.; Taft, R.W.,
Comparison of Bronsted acidities of neutral NH-acids in gas phase, dimethyl sulfoxide and water,
Int. J. Mass Spectrom., 1998, 175, 1-2, 61-69, https://doi.org/10.1016/S0168-1176(98)00113-X
. [all data]
Alley and Dykes, 1972
Alley, B.J.; Dykes, H.W.H.,
Gas-Liquid Chromatographic Determination of Nitrate Esters,Stabilizers and Plasticizers in Nitrocellulose-Base Propellants,
J. Chromatogr., 1972, 71, 1, 23-37, https://doi.org/10.1016/S0021-9673(01)85687-9
. [all data]
Tucminen, Wickstrom, et al., 1986
Tucminen, A.; Wickstrom, K.; Pyysalo, H.,
Determination of Polycyclic Aromatic Compounds by GLC-Selected Ion Monitoring (SIM) Technique,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1986, 9, 8, 469-471, https://doi.org/10.1002/jhrc.1240090813
. [all data]
Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tfus Fusion (melting) point ΔrG° Free energy of reaction at standard conditions ΔsubH Enthalpy of sublimation - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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