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| Name |
1-Nitrobenzo(e)pyrene |
EINECS | N/A |
| CAS No. | 91259-16-4 | Density | 1.429g/cm3 |
| PSA | 45.82000 | LogP | 6.16860 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H11 N O2 | Boiling Point | 533.5°Cat760mmHg |
| Molecular Weight | 297.313 | Flash Point | 265.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1-Nitrobenzo[e]pyrene |
1-Nitrobenzo(e)pyrene Chemical Properties
Product Name: 1-Nitrobenzo(e)pyrene
CAS Registry Number: 91259-16-4
Synonyms: 1-Nitrobenzo(e)pyrene ; CCRIS 1528 ; Benzo(e)pyrene, 1-nitro-
IUPAC Name: 1-nitrobenzo[e]pyrene
Molecular Weight: 297.30684 [g/mol]
Molecular Formula: C20H11NO2
XLogP3-AA: 5.6
H-Bond Donor: 0
H-Bond Acceptor: 2
Surface Tension: 73.5 dyne/cm
Density: 1.429 g/cm3
Flash Point: 265.4 °C
Enthalpy of Vaporization: 77.92 kJ/mol
Boiling Point: 533.5 °C at 760 mmHg
Vapour Pressure: 6.33E-11 mmHg at 25°C
Following is the molecular structure of 1-Nitrobenzo(e)pyrene (CAS NO.91259-16-4) is:
1-Nitrobenzo(e)pyrene Toxicity Data With Reference
| 1. | mic-sat 2500 ng/plate | CRNGDP Carcinogenesis. 9 (1988),951. | ||
| 2. | msc-ipr-mus 23.7 mg/kg/15D-I | CALEDQ Cancer Letters (Shannon, Ireland). 146 (1999),1. |
1-Nitrobenzo(e)pyrene Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
1-Nitrobenzo(e)pyrene Specification
Descriptors computed from structure, you can know some information about 1-Nitrobenzo(e)pyrene (CAS NO.91259-16-4) :
Canonical SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=C4)C=CC(=C25)[N+](=O)[O-]
InChI: InChI=1S/C20H11NO2/c22-21(23)17-11-10-13-9-8-12-4-3-7-15-14-5-1-2-6-16(14)20(17)19(13)18(12)15/h1-11H
InChIKey: MXWQJYPMZBPDRV-UHFFFAOYSA-N
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