Benzenamine, 2,4-dichloro-
- Formula: C6H5Cl2N
- Molecular weight: 162.017
- IUPAC Standard InChIKey: KQCMTOWTPBNWDB-UHFFFAOYSA-N
- CAS Registry Number: 554-00-7
- 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: Aniline, 2,4-dichloro-; 2,4-Dichloroaniline; 2,4-Dichloranilin; 2,4-Dichlorobenzenamine; 2,4-Dichlorophenylamine; o,p-Dichloroaniline
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Phase change data
Go To: Top, 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 518.2 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 336. | K | N/A | van de Lande, 1932 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 20.2 ± 0.31 | kcal/mol | C | Ribeiro da Silva, Amaral, et al., 2006 | AC |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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 | NIST Mass Spectrometry Data Center, 1994 |
NIST MS number | 135554 |
Gas Chromatography
Go To: Top, Phase change 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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | 5 % Phenyl methyl siloxane | 1323. | Yasuhara, Shiraishi, et al., 1997 | 25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TR-1 | 1286. | Gruzdev, Alferova, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | TR-1 | 1286. | Gruzdev, Alferova, et al., 2011, 2 | 30. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | TR-1 | 1286. | Gruzdev, Filippova, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 5. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | Ultra-1 | 1284. | Okumura, 1991 | 25. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 80. C; Tend: 260. C |
Capillary | SE-54 | 1324. | Harland, Cumming, et al., 1986 | He, 50. C @ 2. min, 8. K/min, 250. C @ 12. min; Column length: 25. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 1287. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 1287. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Superox 0.6; Carbowax 20M | 2203. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 2203. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
References
Go To: Top, Phase change 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.
Weast and Grasselli, 1989
CRC Handbook of Data on Organic Compounds, 2nd Editon, Weast,R.C and Grasselli, J.G., ed(s)., CRC Press, Inc., Boca Raton, FL, 1989, 1. [all data]
van de Lande, 1932
van de Lande, L.M.F.,
The Action of Sodium Methylate on SOme Derivatives of m-Dichlorobenzene,
Recl. Trav. Chim. Pays-Bas, 1932, 51, 98-113. [all data]
Ribeiro da Silva, Amaral, et al., 2006
Ribeiro da Silva, Manuel A.V.; Amaral, Luísa M.P.F.; Gomes, José R.B.,
Experimental and Computational Investigation of the Thermochemistry of the Six Isomers of Dichloroaniline,
J. Phys. Chem. A, 2006, 110, 29, 9301-9306, https://doi.org/10.1021/jp062438c
. [all data]
Yasuhara, Shiraishi, et al., 1997
Yasuhara, A.; Shiraishi, H.; Nishikawa, M.; Yamamoto, T.; Uehiro, T.; Nakasugi, O.; Okumura, T.; Kenmotsu, K.; Fukui, H.; Nagase, M.; Ono, Y.; Kawagoshi, Y.; Baba, K.; Noma, Y.,
Determination of organic components in leachates from hazardous waste disposal sites in Japan by gas chromatography-mass spectrometry,
J. Chromatogr. A, 1997, 774, 1-2, 321-332, https://doi.org/10.1016/S0021-9673(97)00078-2
. [all data]
Gruzdev, Alferova, et al., 2011
Gruzdev, I.V.; Alferova, M.V.; Kondratenok, B.M.; Zenkevich, I.G.,
Gas-chromatographic identification of chloro- and bromosubstituted anilines using retention indices,
Rus. J. Anal. Chem., 2011, 66, 5, 519-524. [all data]
Gruzdev, Alferova, et al., 2011, 2
Gruzdev, I.V.; Alferova, M.V.; Kondratenok, B.M.; Zenkevich, I.G.,
Quantification of chloroanilines in drinking water by gas chromatography as bromo derivatives,
Rus. J. Anal. Chem., 2011, 66, 10, 955-962, https://doi.org/10.1134/S1061934811100042
. [all data]
Gruzdev, Filippova, et al., 2011
Gruzdev, I.V.; Filippova, M.V.; Zenkevich, I.G.; Kondratenok, B.M.,
Identification of bromination products of chlorosubstituted anilines in aqueous media by using gas chromatography,
Rus. J. Applied Chem., 2011, 84, 10, 1656-1667, https://doi.org/10.1134/S1070427211100132
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [all data]
Harland, Cumming, et al., 1986
Harland, B.J.; Cumming, R.I.; Gillings, E.,
The Kovats indexes of some organic micropollutants on an SE54 capillary column,
EUR, I Org. Micropollut. Aquat. Environ., 1986, EUR 10388, 123-127. [all data]
Waggott and Davies, 1984
Waggott, A.; Davies, I.W.,
Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]
Notes
Go To: Top, Phase change data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Tboil Boiling point Tfus Fusion (melting) point ΔsubH° Enthalpy of sublimation at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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