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63041-48-5

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Basic Information
CAS No.: 63041-48-5
Name: 7,14-Dibutyldibenz[a,h]anthracene
Molecular Structure:
Molecular Structure of 63041-48-5 (7,14-Dibutyldibenz[a,h]anthracene)
Formula: C30H30
Molecular Weight: 390.60
Synonyms: DIBENZ(a,h)ANTHRACENE,7,14-DIBUTYL;9,10-Di-n-butyl-1,2,5,6-dibenzanthracene;7,14-dibutyl-dibenz[a,h]anthracene;
Density: 1.092g/cm3
Boiling Point: 593.9°Cat760mmHg
Flash Point: 313.4°C
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 8.98460
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Chemistry

Empirical Formula of 9,10-Di-n-butyl-1,2,5,6-dibenzanthracene (CAS NO.63041-48-5): C30H30
Molecular Weight: 390.5592 
Index of Refraction: 1.68
Density: 1.092 g/cm3
Flash Point: 313.4 °C
Enthalpy of Vaporization: 85.27 kJ/mol
Boiling Point: 593.9 °C at 760 mmHg
Vapour Pressure: 1.89E-13 mmHg at 25 °C
Structure of 9,10-Di-n-butyl-1,2,5,6-dibenzanthracene (CAS NO.63041-48-5):
                        
IUPAC Name: 7,14-Dibutylnaphtho[1,2-b]phenanthrene
Canonical SMILES: CCCCC1=C2C=CC3=CC=CC=C3C2=C(C4=C1C5=CC=CC=C5C=C4)CCCC
InChI: InChI=1S/C30H30/c1-3-5-13-25-27-19-17-22-12-8-10-16-24(22)30(27)26(14-6-4-2)28-20-18-21-11-7-9-15-23(21)29(25)28/h7-12,15-20H,3-6,13-14H2,1-2H3
InChIKey: PWNKGPLRYNPQQP-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-mus TDLo:1250 mg/kg/52W-I:ETA

     PRLBA4    Proceedings of the Royal Society of London, Series B, Biological Sciences. 117 (1935),318.

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition 9,10-Di-n-butyl-1,2,5,6-dibenzanthracene (CAS NO.63041-48-5) emits acrid smoke and irritating fumes.

Specification

 9,10-Di-n-butyl-1,2,5,6-dibenzanthracene , its cas register number is 63041-48-5. It also can be called LS-60314 ; BRN 3462481 ; and Dibenz(a,h)anthracene, 7,14-dibutyl- .