Fluoranthene, 2-nitro-

Formula: C₁₆H₉NO₂
Molecular weight: 247.2482
IUPAC Standard InChI: InChI=1S/C16H9NO2/c18-17(19)11-8-10-4-3-7-14-12-5-1-2-6-13(12)15(9-11)16(10)14/h1-9H
IUPAC Standard InChIKey: VBCBFNMZBHKVQN-UHFFFAOYSA-N
CAS Registry Number: 13177-29-2
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: 2-Nitrofluoranthene
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Gas Chromatography

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Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Lee's RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	412.45	Pedersen, Durant, et al., 2005	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
Capillary	SE-52	411.85	White, Robbat, et al., 1983	30. m/0.3 mm/0.25 μm, He, 4. K/min; T_start: 25. C; T_end: 295. C

Lee's RI, non-polar column, custom temperature program

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	411.26	Ciccioli, Cecinato, et al., 1988	Column diameter: 0.32 mm; Phase thickness: 1.0 μm; Program: 30 0C 20 0C/min -> 180 0C (3 min) 3 0C/min -> 270 0C
Capillary	DB-5	411.85	Ciccioli, Cecinato, et al., 1988	Column diameter: 0.32 mm; Phase thickness: 1.0 μm; Program: not specified
Capillary	DB-5	412.48	Ciccioli, Cecinato, et al., 1988	Column diameter: 0.32 mm; Phase thickness: 1.0 μm; Program: not specified
Capillary	DB-5	412.59	Ciccioli, Cecinato, et al., 1988	Column diameter: 0.32 mm; Phase thickness: 1.0 μm; Program: not specified

References

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Pedersen, Durant, et al., 2005
Pedersen, D.U.; Durant, J.L.; Taghizadeh, K.; Hemond, H.F.; Lafleur, A.L.; Cass, G.R., Human cell mutagenes in respirable airborne particles from the Northeastern United States. 2. Quantification of mutagenes and other organic compounds., Environ. Sci. Technol., 2005, 39, 24, 9547-9560, https://doi.org/10.1021/es050886c . [all data]

White, Robbat, et al., 1983
White, C.M.; Robbat, A., Jr.; Hoes, R.M., Gas chromatographic retention characteristics of nitrated polycyclic aromatic hydrocarbons on SE-52, Chromatographia, 1983, 17, 11, 605-612, https://doi.org/10.1007/BF02261944 . [all data]

Ciccioli, Cecinato, et al., 1988
Ciccioli, P.; Cecinato, A.; Brancaleoni, E.; Liberti, A., Short capillary column for the separation and identification of mononitrofluoranthene and mononitropyrene isomers present in air and emission samples, J. Hi. Res. Chromatogr. Chromatogr. Comm., 1988, 11, 4, 306-312, https://doi.org/10.1002/jhrc.1240110402 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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