- r-4,t-5-Dihydroxy-c-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene
- r-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene
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| Name |
r-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene |
EINECS | N/A |
| CAS No. | 151378-31-3 | Density | 1.55g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H14 O3 | Boiling Point | 597.9°Cat760mmHg |
| Molecular Weight | 302.329 | Flash Point | 315.4°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
r-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene Chemical Properties
Molecule structure of r-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene (CAS NO.151378-31-3):
Molecular Weight: 302.32336 g/mol
Molecular Formula: C20H14O3
Density: 1.55 g/cm3
Boiling Point: 597.9 °C at 760 mmHg
Flash Point: 315.4 °C
Index of Refraction: 1.837
Molar Refractivity: 86.14 cm3
Molar Volume: 194.8 cm3
Polarizability: 34.15×10-24 cm3
Surface Tension: 85.8 dyne/cm
Enthalpy of Vaporization: 93.64 kJ/mol
Vapour Pressure: 3.84E-15 mmHg at 25 °C
XLogP3-AA: 2.2
H-Bond Donor: 2
H-Bond Acceptor: 3
Exact Mass: 302.094294
MonoIsotopic Mass: 302.094294
Topological Polar Surface Area: 53
Heavy Atom Count: 23
Complexity: 521
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C5C36C(O6)C(C(C5=CC=C4)O)O
InChI: InChI=1S/C20H14O3/c21-17-13-7-3-6-12-15-11-5-2-1-4-10(11)8-9-14(15)20(16(12)13)19(23-20)18(17)22/h1-9,17-19,21-22H
InChIKey of r-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene (CAS NO.151378-31-3): BZFMVISIXFGYOM-UHFFFAOYSA-N
r-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene Toxicity Data With Reference
| 1. | mic-bac-sat 1 nmol/plate | EMMUEG Environmental and Molecular Mutagenesis. 22 (1993),34. |
r-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
r-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene Specification
r-4,t-5-Dihydroxy-t-6,6a-epoxy-4,5,6,6a-tetrahydrobenzo(j)fluoranthene (CAS NO.151378-31-3) is also named as CCRIS 7028 ; (11S-(1aR*,11alpha,12beta,12aalpha))-12,12a-dihydro-11H-benzo(7,8)fluorantheno(1,10b-b)oxirene-11,12-diol ; 11H-Benzo(7,8)fluorantheno(1,10b-b)oxirene-11,12-diol, 12,12a-dihydro-, (11S-(1aR*,11-alpha,12-beta,12a-alpha))- .
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