Benzo[b]naphtho[2,1-d]thiophene
- Formula: C16H10S
- Molecular weight: 234.316
- IUPAC Standard InChIKey: YEUHHUCOSQOCIX-UHFFFAOYSA-N
- CAS Registry Number: 239-35-0
- 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: Benzo[a]dibenzothiophene; Naphtho[1,2-b]thianaphthene; 1,2-Benzo-9-thiafluorene; 1,2-Benzodiphenylene sulfide; Benzo[b]naphtho[2,1]thiophene; Benzo[b]naphto[2,1-d]thiophene; 11-thiabenzo[a]fluorene
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Lee's RI, non-polar column, custom temperature program
Go To: Top, 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
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | HP-5MS | HP-5MS | HP-5MS | HP-5MS |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | not specified | 60C(2min) => 6C/min => 258C => 2C/min => 300C(4min) | not specified | not specified | not specified |
I | 389.4 | 388.64 | 388.64 | 389.09 | 389.16 |
Reference | Fuentes, Font, et al., 2007 | Wang, Li, et al., 2007 | Wang, Li, et al., 2007, 2 | Wang, Li, et al., 2007, 2 | Wang, Li, et al., 2007, 2 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | LM-5 | DB-5 | HP Ultra 2 | HP-5 | DB-5 |
Column length (m) | 30. | 30. | 25. | 50. | 60. |
Carrier gas | He | Helium | Helium | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.50 | 0.25 |
Program | 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min) | not specified | 60 0C (2 min) 4 0C/min -> 230 0C 3 0C/min -> 320 0C (6 min) | not specified | 60C (1 min) => 45 C/min => 150C (2 min) => 2 C/min => 300 C (25 min) |
I | 387.3 | 389.4 | 388.12 | 388.7 | 388.86 |
Reference | Ré-Poppi and Santiago-Silva, 2005 | Lundstedt, Haglund, et al., 2003 | zu Reckendorf, 2000 | Becker, Colmsjo, et al., 1999 | Mössner, de Alda, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-5 | DB-5 | HP-5 | DB-5 | SE-30 |
Column length (m) | 30. | 30. | 50. | 30. | 25. |
Carrier gas | He | He | He | He | Nitrogen |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | |
Program | 110C(1min) => 40C/min => 160C => 10C/min => 300C925min) | 35C(2min) => 25C/min => 160C => 3C/min => 300C(25min) | 35C => 25C/min => 160C => 3C/min => 300C(50min) | 90C (1min) => 10C/min => 120C => 4C/min => 310C (20min) | not specified |
I | 388.9 | 388.4 | 388.7 | 389.51 | 389.37 |
Reference | Becker and Colmsjö, 1998 | Becker and Colmsjö, 1998 | Becker, Nilsson, et al., 1998 | Zamperlini, Silva, et al., 1997 | Wang, Xue, et al., 1994 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary |
---|---|---|
Active phase | SE-54 | DB-5 |
Column length (m) | ||
Carrier gas | He | |
Substrate | ||
Column diameter (mm) | ||
Phase thickness (μm) | ||
Program | not specified | 70C(2min) => 30C/min => 150C => 5C/min => 200C => 4C/min => 310C |
I | 387.08 | 388.05 |
Reference | Guillen, Iglesias, et al., 1992 | Takada, Onda, et al., 1990 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Lee's RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Fuentes, Font, et al., 2007
Fuentes, M.J.; Font, R.; Gomez-Rico, M.F.; Martin-Gullon, I.,
Pyrolysis and combustion of waste lubricant oil from diesel cars: Decomposition and pollutants,
J. Anal. Appl. Pyrolysis, 2007, 79, 1-2, 215-226, https://doi.org/10.1016/j.jaap.2006.12.004
. [all data]
Wang, Li, et al., 2007
Wang, Z.; Li, K.; Lambert, P.; Yang, C.,
Identification, characterization and quantitation of pyrogenic polycylic aromatic hydrocarbons and other organic compounds in tire fire products,
J. Chromatogr. A, 2007, 1139, 1, 14-26, https://doi.org/10.1016/j.chroma.2006.10.085
. [all data]
Wang, Li, et al., 2007, 2
Wang, Z.; Li, K.; Lambert, P.; Brown, C.E.; Yang, C.; Hollebone, B.P.,
Identification and characterization of polycyclic aromatic compounds in tire fire products and differentiation of pyrogenic PAHs from petrogenic PAHs
in Proceedings of the 30th Arctic and Marine Oilspill (AMOP) Technical Seminar. Vol.1, 2007, 61-85. [all data]
Ré-Poppi and Santiago-Silva, 2005
Ré-Poppi, N.; Santiago-Silva, M.,
Polycyclic aromatic hydrocarbons and other selected organic compounds in ambient air of Campo Grande City, Brazil,
Atmos. Environ., 2005, 39, 16, 2839-2850, https://doi.org/10.1016/j.atmosenv.2004.10.006
. [all data]
Lundstedt, Haglund, et al., 2003
Lundstedt, S.; Haglund, P.; Öberg, L.,
Degradation and formation of polycyclic aromatic compounds during bioslurry treatment of an aged gasworks soil,
Environ. Toxicol. Chem., 2003, 22, 7, 1413-1420, https://doi.org/10.1002/etc.5620220701
. [all data]
zu Reckendorf, 2000
zu Reckendorf, R.M.,
Phenyl-substituted polycyclic aromatic compounds as intermediate products during pyrolitic reactions involving coal tars, pitches and related materials,
Chromatographia, 2000, 52, 1/2, 67-76, https://doi.org/10.1007/BF02490795
. [all data]
Becker, Colmsjo, et al., 1999
Becker, G.; Colmsjo, A.; Ostman, C.,
Determination of Thiaarenes and Polycyclic Aromatic Hydrocarbons in Workplace Air of an Aluminium Reduction Plant,
Environ. Sci. Technol., 1999, 33, 9, 1321-1327, https://doi.org/10.1021/es981151t
. [all data]
Mössner, de Alda, et al., 1999
Mössner, S.G.; de Alda, M.J.L.; Sander, L.C.; Lee, M.L.; Wise, S.A.,
Gas chromatographic retention behavior of polycyclic aromatic sulfur heterocyclic compounds, (dibenzothiophene, naphtho[b]thiophenes, benzo[b]naphthothiophenes and alkyl-substituted derivatives) on stationary phases of different selectivity,
J. Chromatogr. A, 1999, 841, 2, 207-228, https://doi.org/10.1016/S0021-9673(99)00363-5
. [all data]
Becker and Colmsjö, 1998
Becker, G.; Colmsjö, A.,
Gas chromatography-atomic emission detection for quantification of polycyclic aromatic sulfur heterocycles,
Anal. Chim. Acta., 1998, 376, 3, 265-272, https://doi.org/10.1016/S0003-2670(98)00546-7
. [all data]
Becker, Nilsson, et al., 1998
Becker, G.; Nilsson, U.; Colmsjö, A.; Östman, C.,
Determination of polycyclic aromatic sulfur heterocyclic compounds in airborne particulate by gas chromatography with atomic emission and mass spectrometric detection,
J. Chromatogr. A, 1998, 826, 1, 57-66, https://doi.org/10.1016/S0021-9673(98)00729-8
. [all data]
Zamperlini, Silva, et al., 1997
Zamperlini, G.C.M.; Silva, M.R.S.; Vilegas, W.,
Identification of polycyclic aromatic hydrocarbons in sugar cane soot by gas chromatography-mass spectrometry,
Chromatographia, 1997, 46, 11/12, 655-663, https://doi.org/10.1007/BF02490527
. [all data]
Wang, Xue, et al., 1994
Wang, X.; Xue, W.; Zhu, J.; Gu, Y.; Sheng, G.; Fu, J.,
Characterization of polynuclear aromatic sulfur heterocycles in a coal,
J. Fuel Chemistry and Technology, 1994, 22, 2, 196-202. [all data]
Guillen, Iglesias, et al., 1992
Guillen, M.D.; Iglesias, M.J.; Dominguez, A.; Blanco, C.G.,
Polynuclear aromatic hydrocarbon retention indices on SE-54 stationary phase of the volatile components of a coal tar pitch. Relationships between chromatographic retention and thermal reactivity,
J. Chromatogr., 1992, 591, 1-2, 287-295, https://doi.org/10.1016/0021-9673(92)80246-Q
. [all data]
Takada, Onda, et al., 1990
Takada, H.; Onda, T.; Ogura, N.,
Determination of polycyclic aromatic hydrocarbons in urban street dusts and their source materials by capillary gas chromatography,
Environ. Sci. Technol., 1990, 24, 8, 1179-1186, https://doi.org/10.1021/es00078a005
. [all data]
Notes
Go To: Top, Lee's RI, non-polar column, custom temperature program, References
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