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| Name |
trans-10,11-Dihydrodibenz(a,e)aceanthrylene-10,11-diol |
EINECS | N/A |
| CAS No. | 74340-04-8 | Density | 1.461g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C24H16O2 | Boiling Point | 631.6°C at 760 mmHg |
| Molecular Weight | 336.40 | Flash Point | 299°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic 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 |
N/A |
trans-10,11-Dihydrodibenz(a,e)aceanthrylene-10,11-diol Chemical Properties
Molecule structure of trans-10,11-Dihydrodibenz(a,e)aceanthrylene-10,11-diol (CAS NO.74340-04-8) :
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Molecular Weight: 336.38264 g/mol
Molecular Formula: C24H16O2
Density: 1.461 g/cm3
Boiling Point: 631.6 °C at 760 mmHg
Flash Point: 299 °C
Index of Refraction: 1.933
Molar Refractivity: 109.87 cm3
Molar Volume: 230.1 cm3
Polarizability: 43.55×10-24 cm3
Surface Tension: 78.2 dyne/cm
Enthalpy of Vaporization: 98.17 kJ/mol
Vapour Pressure: 8.08E-17 mmHg at 25 °C
XLogP3-AA: 4.6
H-Bond Donor: 2
H-Bond Acceptor: 2
Exact Mass: 336.11503
MonoIsotopic Mass: 336.11503
Topological Polar Surface Area: 40.5
Heavy Atom Count: 26
Complexity: 585
Defined Atom StereoCenter Count: 2
Canonical SMILES: C1=CC=C2C(=C1)C=C3C4=C(C=C5C3=C2C6=CC=CC=C65)C(C(C=C4)O)O
Isomeric SMILES: C1=CC=C2C(=C1)C=C3C4=C(C=C5C3=C2C6=CC=CC=C65)[C@@H]([C@H](C=C4)O)O
InChI: InChI=1S/C24H16O2/c25-21-10-9-16-18-11-13-5-1-2-6-14(13)22-17-8-4-3-7-15(17)19(23(18)22)12-20(16)24(21)26/h1-12,21,24-26H/t21-,24-/m0/s1
InChIKey of trans-10,11-Dihydrodibenz(a,e)aceanthrylene-10,11-diol (CAS NO.74340-04-8) : WMKAQRLDDZKBBR-URXFXBBRSA-N
trans-10,11-Dihydrodibenz(a,e)aceanthrylene-10,11-diol Toxicity Data With Reference
| 1. | mma-sat 1200 nmol/L | CRNGDP Carcinogenesis. 5 (1984),1263. | ||
| 2. | dnd-man:lyms 208 nmol | CRNGDP Carcinogenesis. 4 (1983),27. |
trans-10,11-Dihydrodibenz(a,e)aceanthrylene-10,11-diol Safety Profile
Questionable carcinogen with experimental tumorigenic data. Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
trans-10,11-Dihydrodibenz(a,e)aceanthrylene-10,11-diol Specification
trans-10,11-Dihydrodibenz(a,e)aceanthrylene-10,11-diol (CAS NO.74340-04-8) is also called CCRIS 6128 ; trans-3,4-Dihydro-3,4-dihydroxydibenzo(a,e)fluoranthene ; Dibenz(a,e)aceanthrylene-10,11-diol, 10,11-dihydro-, trans- .
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