13345-21-6

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13345-21-6 Structure

Identification	Back Directory
[Name] 3-HYDROXYBENZO[A]PYRENE
[CAS] 13345-21-6
[Synonyms] 3-HOBP bp-3-hydroxy benzo(a)pyren-3-ol 3-Hydroxy Benzopyrene 3-HYDROXYBENZ(A)PYRENE 3-HYDROXYBENZO[A]PYRENE 3-hydroxy-benzo(a)pyren 8-hydroxy-3,4-benzpyrene Benzo[pqr]tetraphen-3-ol 23689, 3-Hydroxybenzo[a]pyrene (purity)
[Molecular Formula] C20H12O
[MDL Number] MFCD00215971
[MOL File] 13345-21-6.mol
[Molecular Weight] 268.31

Chemical Properties	Back Directory
[Melting point ] 186-188°C
[Boiling point ] 371.47°C (rough estimate)
[density ] 1.0921 (rough estimate)
[refractive index ] 1.6220 (estimate)
[storage temp. ] 2-8°C
[pka] 9.40±0.30(Predicted)
[color ] Yellow crystals from C6H6/pet ether
[EPA Substance Registry System] 3-Hydroxybenzo(a)pyrene (13345-21-6)

Safety Data	Back Directory
[HS Code ] 29062990
[Toxicity] dnd-hmn:fbr 30 mmol/L CBINA8 41,155,82

Hazard Information	Back Directory
[Chemical Properties] Dark Yellow to Green Solid
[Uses] A metabolite of Benzopyrene (BaP), a carcinogenic component of tobacco smoke implicated in lung cancer.
[Definition] ChEBI: 3-Hydroxybenzo[a]pyrene is an ortho- and peri-fused polycyclic arene.
[Safety Profile] Questionable carcinogen withexperimental tumorigenic and neoplastigenic data by skincontact. Human mutation data reported. When heated todecomposition it emits acrid smoke and irritating fumes.

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