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153-39-9

Basic Information
CAS No.: 153-39-9
Name: 1,2,3,4-Tetrahydrodibenz[a,h]anthracene
Article Data: 2
Molecular Structure:
Molecular Structure of 153-39-9 (1,2,3,4-Tetrahydrodibenz[a,h]anthracene)
Formula: C22H18
Molecular Weight: 282.385
Synonyms: Dibenz[a,h]anthracene,1,2,3,4-tetrahydro- (7CI,8CI,9CI); 1,2,3,4-Tetrahydrodibenz[a,h]anthracene
Density: 1.183g/cm3
Boiling Point: 509.9°Cat760mmHg
Flash Point: 256.4°C
Safety: Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 6.02500
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  • 8,9,10,11-tetrahydronaphtho[1,2-b]phenanthrene

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Chemistry

Chemistry informtion about 1,2,3,4-Tetrahydrodibenz[a,h]anthracene(153-39-9) is:
IUPAC Name: 8,9,10,11-tetrahydronaphtho[1,2-b]phenanthrene
Synonyms: 1,2,3,4-Tetrahydrodibenz[a,h]anthracene
Molecular Weight: 282.37832 [g/mol]
Molecular Formula: C22H18
XLogP3-AA: 7
H-Bond Donor: 0
H-Bond Acceptor: 0
 Density: 1.183 g/cm3
Flash Point: 256.4 °C
Enthalpy of Vaporization: 75.11 kJ/mol
Boiling Point: 509.9 °C at 760 mmHg
Vapour Pressure: 5.18E-10 mmHg at 25°C
Following is the molecular structure of 1,2,3,4-Tetrahydrodibenz[a,h]anthracene(153-39-9) is:

Toxicity Data With Reference

1.    

skn-mus TDLo:74 mg/kg/29W-I:NEO

    JNCIAM    Journal of the National Cancer Institute. 34 (1965),1.

Safety Profile

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

Specification

Descriptors computed from structure about 1,2,3,4-Tetrahydrodibenz[a,h]anthracene(153-39-9) are:
Canonical SMILES: C1CCC2=C(C1)C=CC3=CC4=C(C=CC5=CC=CC=C54)C=C23
InChI: InChI=1S/C22H18/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-
6-2-4-8-20(16)22/h1,3,5,7,9-14H,2,4,6,8H2
InChIKey: UYKUFJXADUOEKW-UHFFFAOYSA-N