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Cas Database |
| Name |
trans-1,2-Dihydro-1,2-dihydroxychrysene |
EINECS | N/A |
| CAS No. | 64920-31-6 | Density | 1.367 g/cm3 |
| PSA | 40.46000 | LogP | 3.41410 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C18H14 O2 | Boiling Point | 525.2 °C at 760 mmHg |
| Molecular Weight | 262.308 | Flash Point | 257.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with neoplastigenic data. 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 |
1,2-Chrysenediol,1,2-dihydro-, trans-; trans-1,2-Dihydro-1,2-dihydroxychrysene;trans-1,2-Dihydroxy-1,2-dihydrochrysene |
Article Data | 2 |
trans-1,2-Dihydro-1,2-dihydroxychrysene Chemical Properties
Molecule structure of trans-1,2-Dihydro-1,2-dihydroxychrysene (CAS NO.64920-31-6) :
IUPAC Name: (1R,2R)-1,2-dihydrochrysene-1,2-diol
Molecular Weight: 262.30256 g/mol
Molecular Formula: C18H14O2
Density: 1.367 g/cm3
Boiling Point: 525.2 °C at 760 mmHg
Flash Point: 257.2 °C
Index of Refraction: 1.793
Molar Refractivity: 81.5 cm3
Molar Volume: 191.7 cm3
Polarizability: 32.31×10-24 cm3
Surface Tension: 65.7 dyne/cm
Enthalpy of Vaporization: 84.14 kJ/mol
Vapour Pressure: 7.35E-12 mmHg at 25 °C
XLogP3-AA: 3.3
H-Bond Donor: 2
H-Bond Acceptor: 2
Exact Mass: 262.09938
MonoIsotopic Mass: 262.09938
Topological Polar Surface Area: 40.5
Heavy Atom Count: 20
Complexity: 391
Defined Atom StereoCenter Count: 2
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=CC(C4O)O
Isomeric SMILES: C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3C=C[C@H]([C@@H]4O)O
InChI: InChI=1S/C18H14O2/c19-17-10-9-15-14-6-5-11-3-1-2-4-12(11)13(14)7-8-16(15)18(17)20/h1-10,17-20H/t17-,18-/m1/s1
InChIKey of trans-1,2-Dihydro-1,2-dihydroxychrysene (CAS NO.64920-31-6) : BIMJIRFFDLQHJJ-QZTJIDSGSA-N
trans-1,2-Dihydro-1,2-dihydroxychrysene Toxicity Data With Reference
| 1. | mmo-sat 5 µg/plate | CNREA8 Cancer Research. 44 (1984),3408. | ||
| 2. | mma-sat 37,500 pmol/plate | BBRCA9 Biochemical and Biophysical Research Communications. 78 (1977),847. |
trans-1,2-Dihydro-1,2-dihydroxychrysene Safety Profile
Questionable carcinogen with neoplastigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
trans-1,2-Dihydro-1,2-dihydroxychrysene Specification
trans-1,2-Dihydro-1,2-dihydroxychrysene (CAS NO.64920-31-6) is also called CCRIS 2019 ; trans-1,2-ihydrochrysene-1,2-diol ; trans-1,2-Dihydroxy-1,2-dihydrochrysene ; 1,2-Chrysenediol, 1,2-dihydro-, (E)- .
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