Benzo[a]pyrene

• Formula: C₂₀H₁₂
• Molecular weight: 252.3093
• IUPAC Standard InChI: InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H Copy

  
• IUPAC Standard InChIKey: FMMWHPNWAFZXNH-UHFFFAOYSA-N Copy
• CAS Registry Number: 50-32-8
• 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: Benz[a]pyrene; 1,2-Benzpyrene; 3,4-Benzopyrene; 3,4-Benzpyrene; 3,4-Benz[a]pyrene; 6,7-Benzopyrene; Benzo[d,e,f]chrysene; B(a)P; BP; 3,4-Benzopirene; 3,4-Benzpyren; 3,4-BP; Rcra waste number U022; Benzopyrene; 4,5-Benzpyrene; NSC 21914; Benzo[α]pyrene
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• Information on this page:
  • Normal melting point
  • References
  • Notes
• Other data available:
  • Gas phase thermochemistry data
  • Phase change data
  • Henry's Law data
  • Gas phase ion energetics data
  • Mass spectrum (electron ionization)
  • Gas Chromatography
• Data at other public NIST sites:
  • NIST Polycyclic Aromatic Hydrocarbon Structure Index
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Normal melting point

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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 as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein

References

Go To: Top, Normal melting point, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Haines and Sandler, 1995
Haines, R.I.S.; Sandler, S.I., Aqueous Solubilities and Infinite Dilution Activity Coefficients of Several Polycyclic Aromatic Hydrocarbons, J. Chem.Eng. Data, 1995, 40, 833-6. [all data]

Buckingham and Donaghy, 1982
Buckingham, J.; Donaghy, S.M., Dictionary of Organic Compounds: Fifth Edition, Chapman and Hall, New York, 1982, 1. [all data]

Murray, Pottie, et al., 1974
Murray, J.J.; Pottie, R.F.; Pupp, C., The vapor pressures and enthalpies of sublimation of five polycyclic aromatic hydrocarbons, Can. J. Chem., 1974, 52, 557. [all data]

Casellato, Vecchi, et al., 1973
Casellato, F.; Vecchi, C.; Girell, A., Differential calorimetric study of polycyclic aromatic hydrocarbons, Thermochim. Acta, 1973, 6, 4, 361, https://doi.org/10.1016/0040-6031(73)87003-0 . [all data]

Phillips and Chatterjee, 1958
Phillips, D.D.; Chatterjee, D.N., The Friedel-Crafts Condensation of trans-2-Hydroxycyclohexaneacetic Acid Lactone with Aromatic Hydrocarbons I. Benzene and Naphthalene, J. Am. Chem. Soc., 1958, 80, 1360. [all data]

Bachmann, Carmack, et al., 1941
Bachmann, W.E.; Carmack, M.; Safir, S.R., Some Modifications of the Synthesis of 3,4-Benzepyrene from Pyrene, J. Am. Chem. Soc., 1941, 63, 1682-5. [all data]

Fieser and Hershberg, 1938
Fieser, L.F.; Hershberg, E.B., A New Synthesis of 3,4-Benzpyrene Derivatives, J. Am. Chem. Soc., 1938, 60, 1658-65. [all data]

Cook, Hewett, et al., 1933
Cook, J.W.; Hewett, C.L.; Hieger, I., Isolation of A Cancer-producing Hydrocarbon from Coal Tar II. Isolation of 1,2- and 4,5-Benzopyrenes, Perylene, and 1,5-Benzoanthracene, J. Chem. Soc., 1933, 1933, 396-8. [all data]

Cook, Hewett, et al., 1933, 2
Cook, J.W.; Hewett, C.L.; Hieger, I., Isolation of A Cancer-producing Hydrocarbon from Coal Tar III. Synthesis of 1,2- and 4,5-Benzopyrenes, J. Chem. Soc., 1933, 1933, 398-405. [all data]

Notes

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• Symbols used in this document:
  

  Tfus	Fusion (melting) point

• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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