-
Name
1, 6-Benzo[a]pyrenedione
- EINECS
- CAS No. 3067-13-8
- Article Data2
- CAS DataBase
- Density 1.426g/cm3
- Solubility
- Melting Point 295°C (rough estimate)
- Formula C20H10 O2
- Boiling Point 545.7°Cat760mmHg
- Molecular Weight 282.298
- Flash Point 200.2°C
- Transport Information
- Appearance
- Safety Questionable carcinogen with experimental neoplastigenic data by skin contact. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 1,6-Dihydrobenzo[a]pyrene-1,6-dione;Benzo[a]pyrene-1,6-quinone; NSC 30985
- PSA 34.14000
- LogP 4.26070
Benzo(a)pyrene-1,6-dione Chemical Properties
Product Name: Benzo(a)pyrene-1,6-dione (CAS NO.3067-13-8)
Molecular Formula: C20H10O2
Molecular Weight: 282.30g/mol
Mol File: 3067-13-8.mol
Boiling point: 545.7 °C at 760 mmHg
Storage Temperature:
Flash Point: 200.2 °C
Density: 1.426 g/cm3
Surface Tension: 71 dyne/cm
Enthalpy of Vaporization: 82.46 kJ/mol
Vapour Pressure: 5.79E-12 mmHg at 25°C
XLogP3-AA: 4.3
H-Bond Donor: 0
H-Bond Acceptor: 2
Structure Descriptors of Benzo(a)pyrene-1,6-dione (CAS NO.3067-13-8):
IUPAC Name: benzo[b]pyrene-1,6-dione
Canonical SMILES: C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C(=O)C=C5)C2=O
InChI: InChI=1S/C20H10O2/c21-17-10-6-11-5-7-16-19-13(8-9-15(17)18(11)19)12-3-1-2-4-14(12)20(16)22/h1-10H
InChIKey: OXWHZARNAGLRFL-UHFFFAOYSA-N
Benzo(a)pyrene-1,6-dione Toxicity Data With Reference
| 1. | msc-ham:lng 2 mg/L | CNREA8 Cancer Research. 36 (1976),3350. |
Benzo(a)pyrene-1,6-dione Consensus Reports
EPA Genetic Toxicology Program.
Benzo(a)pyrene-1,6-dione Safety Profile
Questionable carcinogen with experimental neoplastigenic data by skin contact. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Benzo(a)pyrene-1,6-dione Specification
Benzo(a)pyrene-1,6-dione ,its CAS NO. is 3067-13-8,the synonyms is 1,6-Benzo(a)pyrenedione ; 1,6-Benzo(a)pyrenequinone ; 3-07-00-04371 (Beilstein Handbook Reference) ; BP-1,6-Quinone ; BRN 2334217 ; Benzo(a)pyrene-1,6-quinone ; NSC 30985 .
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