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Cas Database |
| Name |
Benzo[A]Pyren-9-Ol |
EINECS | N/A |
| CAS No. | 17573-21-6 | Density | 1.379g/cm3 |
| PSA | 20.23000 | LogP | 5.44280 |
| Solubility | N/A | Melting Point |
196°C |
| Formula | C20H12 O | Boiling Point | 527.2°C at 760 mmHg |
| Molecular Weight | 268.315 | Flash Point | 252.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental neoplastigenic data by skin contact. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
9-Hydroxybenzo[a]pyrene |
Article Data | 9 |
Benzo[A]Pyren-9-Ol Chemical Properties
Chemistry informtion about Benzo[A]Pyren-9-Ol(CAS NO.17573-21-6) is:
IUPAC Name: benzo[a]pyren-9-ol
Synonyms: 9-Hydroxybenzo(a)pyrene ; Benzo(a)pyren-9-ol
Molecular Weight: 268.30868 [g/mol]
Molecular Formula: C20H12O
XLogP3: 5.8
H-Bond Donor: 1
H-Bond Acceptor: 1
Density: 1.379 g/cm3
Flash Point: 252.9 °C
Enthalpy of Vaporization: 83.19 kJ/mol
Boiling Point: 527.2 °C at 760 mmHg
Vapour Pressure: 9.85E-12 mmHg at 25°C
Following is the molecular structure of Benzo[A]Pyren-9-Ol(CAS NO.17573-21-6) is:
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Benzo[A]Pyren-9-Ol Toxicity Data With Reference
| 1. | mma-sat 7 µg/plate | ENMUDM Environmental Mutagenesis. 7 (1985),839. | ||
| 2. | dnd-hmn:fbr 30 µmol/L | CBINA8 Chemico-Biological Interactions. 41 (1982),155. | ||
| 3. | dnd-mam:lym 447 nmol | CRNGDP Carcinogenesis. 3 (1982),267. |
Benzo[A]Pyren-9-Ol Consensus Reports
EPA Genetic Toxicology Program.
Benzo[A]Pyren-9-Ol Safety Profile
Questionable carcinogen with experimental neoplastigenic data by skin contact. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
CCRIS - Carcinogenicity, tumor promotion, tumor inhibition, and mutagenicity tests
GENETOX - Genetic toxicology information
TOXLINE - Citations to the toxicological literature
Benzo[A]Pyren-9-Ol Specification
Descriptors Computed from Structureabout Benzo[A]Pyren-9-Ol(CAS NO.17573-21-6) is:
Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C(C=C5)O)C=C2
InChI: InChI=1S/C20H12O/c21-16-8-6-14-10-15-5-4-12-2-1-3-13-7-9-17(18(14)11-16)20(15)19(12)13/h1-11,21H
InChIKey: OBBBXCAFTKLFGZ-UHFFFAOYSA-N
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