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3-nitrobenzanthrone
Sign in to save3-Nitrobenzanthrone (3-nitro-7H-benz[de]anthracen-7-one) is a chemical compound emitted in diesel exhaust; it is a potent carcinogen. It produced the highest score ever reported in the Ames test, a standard measure of the cancer-causing potential of toxic chemicals, far greater than the previous known strongest (1,8-dinitropyrene, which is also found in diesel exhaust).
Chemical data
- Formula
- C17H9NO3
- Molecular weight
- 275.26 g/mol
- IUPAC name
- 3-nitrobenzo[b]phenalen-7-one
- SMILES
- C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O
- InChIKey
- QAJOWHGESRCVLY-UHFFFAOYSA-N
- XLogP
- 4.1
- Polar surface area
- 62.9 Ų
- H-bond donors
- 0
- H-bond acceptors
- 3
- Formal charge
- 0
via PubChem
Wikidata facts
- Subclass of
- chemical compound
- Mass
- 275.058243
Show 2 more facts
- chemical formula
- C₁₇H₉NO₃
- canonical SMILES
- C1=CC=C2C(=C1)C3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=C4C2=O
Sources (2)
via Wikidata · CC0
~1 min read
Encyclopedic overview
2 sectionsContents
- See also
- References
3-Nitrobenzanthrone (3-nitro-7H-benz[de]anthracen-7-one) is a chemical compound emitted in diesel exhaust; it is a potent carcinogen. It produced the highest score ever reported in the Ames test, a standard measure of the cancer-causing potential of toxic chemicals, far greater than the previous known strongest (1,8-dinitropyrene, which is also found in diesel exhaust).
==See also== Benzanthrone
Excerpted from Wikipedia’s “3-nitrobenzanthrone” article, available under the CC BY-SA 4.0 licence.