Product Name

  • Name

    1,2-Dihydrodibenz[a,e]aceanthrylene-1,2-diol

  • EINECS
  • CAS No. 74339-98-3
  • Density 1.461g/cm3
  • Solubility
  • Melting Point
  • Formula C24H16O2
  • Boiling Point 631.6°Cat760mmHg
  • Molecular Weight 336.40
  • Flash Point 299°C
  • Transport Information
  • Appearance
  • Safety Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
  • Risk Codes
  • Molecular Structure Molecular Structure of 74339-98-3 (1,2-Dihydrodibenz[a,e]aceanthrylene-1,2-diol)
  • Hazard Symbols
  • Synonyms
  • PSA
  • LogP

trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol Chemical Properties

Molecule structure of trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol (CAS NO.74339-98-3) :

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=CC=CC=C4C5=C3C2=CC6=C5C=CC(C6O)O
Isomeric SMILES: C1=CC=C2C(=C1)C=C3C4=CC=CC=C4C5=C3C2=CC6=C5C=C[C@@H]([C@H]6O)O
InChI: InChI=1S/C24H16O2/c25-21-10-9-17-20(24(21)26)12-19-14-6-2-1-5-13(14)11-18-15-7-3-4-8-16(15)22(17)23(18)19/h1-12,21,24-26H/t21-,24-/m0/s1
InChIKey of trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol (CAS NO.74339-98-3) : FWXWCFAETRJJCO-URXFXBBRSA-N

trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.

trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol Specification

 trans-1,2-Dihydrodibenz(a,e)aceanthrylene-1,2-diol (CAS NO.74339-98-3) is also called CCRIS 6129 ; trans-Benz(a,e)fluoranthene-12,13-dihydrodiol ; Dibenz(a,e)aceanthrylene-1,2-diol, 1,2-dihydro-, trans- ; trans-12,13-Dihydro-12,13-dihydroxydibenzo(a,e)fluoranthene .

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