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Cas Database |
| Name |
(+)-(3S,4S)trans Benz(a)anthracene-3,4-dihydrodiol |
EINECS | N/A |
| CAS No. | 67335-43-7 | Density | 1.367g/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 experimental tumorigenic data by skin contact. When heated to decomposition it emits acrid smoke and irritating fumes. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Benz[a]anthracene-3,4-diol,3,4-dihydro-, (3S-trans)- (9CI); (+)-3,4-Dihydroxy-3,4-dihydrobenz[a]anthracene |
Article Data | 7 |
(+)-(3S,4S)trans Benz(a)anthracene-3,4-dihydrodiol Chemical Properties
Molecular Structure of (+)-(3S,4S)trans Benz(a)anthracene-3,4-dihydrodiol (CAS NO. 67335-43-7):
IUPAC Name: (3S,4S)-3,4-Dihydrobenzo[a]anthracene-3,4-diol
Molecular Formula: C18H14O2
Molecular Weight: 262.302560 g/mol
XLogP3-AA: 3
H-Bond Donor: 2
H-Bond Acceptor: 2
Canonical SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=CC(C4O)O
Isomeric SMILES: C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3C=C[C@@H]([C@H]4O)O
InChI: InChI=1S/C18H14O2/c19-17-8-7-14-15(18(17)20)6-5-13-9-11-3-1-2-4-12(11)10-16(13)14/h1-10,17-20H/t17-,18-/m0/s1
InChIKey: KUBYVPFVNKJERF-ROUUACIJSA-N
Index of Refraction: 1.793
Molar Refractivity: 81.5 cm3
Molar Volume: 191.7 cm3
Surface Tension: 65.7 dyne/cm
Density: 1.367 g/cm3
Flash Point: 257.2 °C
Enthalpy of Vaporization: 84.14 kJ/mol
Boiling Point: 525.2 °C at 760 mmHg
Vapour Pressure of (+)-(3S,4S)trans Benz(a)anthracene-3,4-dihydrodiol (CAS NO. 67335-43-7): 7.35E-12 mmHg at 25 °C
(+)-(3S,4S)trans Benz(a)anthracene-3,4-dihydrodiol Safety Profile
Questionable carcinogen with experimental tumorigenic data by skin contact. When heated to decomposition it emits acrid smoke and irritating fumes.
(+)-(3S,4S)trans Benz(a)anthracene-3,4-dihydrodiol Specification
(+)-(3S,4S)trans Benz(a)anthracene-3,4-dihydrodiol with cas registry number of 67335-43-7 is also called for (+)-(3S,4S)-trans-3,4-Dihydro-3,4-dihydroxybenz(a)anthracene ; (+)-(3S,4S)-trans-3,4-Dihydro-3,4-dihydroxybenzo(a)anthracene ; Benz(a)anthracene, 3,4-dihydro-3,4-dihydroxy-, (E)-(+)-, (3S,4S) .
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