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5779-79-3

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Basic Information
CAS No.: 5779-79-3
Name: 4,5-DIHYDRO-BENZ(K)ACEPHENANTHRYLENE
Article Data: 7
Molecular Structure:
Molecular Structure of 5779-79-3 (4,5-DIHYDRO-BENZ(K)ACEPHENANTHRYLENE)
Formula: C20H14
Molecular Weight: 254.34
Synonyms: Benz[k]acephenanthrylene,4,5-dihydro- (6CI,8CI,9CI); 3,4'-Ace-1,2-benzanthracene; Benz[k]acephenanthrene
Density: 1.252g/cm3
Melting Point: 192-193 °C(Solv: ligroine (8032-32-4))
Boiling Point: 495°Cat760mmHg
Flash Point: 245.3°C
Solubility: 2.7ug/L(27 oC)
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.
PSA: 0.00000
LogP: 5.24480
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Chemistry

Product Name: Acenaphthanthracene (CAS NO.5779-79-3)


Molecular Formula: C20H14
Molecular Weight: 254.34g/mol
Mol File: 5779-79-3.mol
Boiling point: 495 °C at 760 mmHg
Flash Point: 245.3 °C
Density: 1.252 g/cm3
Surface Tension: 59.8 dyne/cm
Enthalpy of Vaporization: 73.35 kJ/mol
Vapour Pressure: 1.87E-09 mmHg at 25°C
XLogP3-AA: 5.7
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of Acenaphthanthracene (CAS NO.5779-79-3):
  Canonical SMILES: C1CC2=CC3=CC4=CC=CC=C4C=C3C5=C2C1=CC=C5
  InChI: InChI=1S/C20H14/c1-2-5-15-12-19-17(10-14(15)4-1)11-16-9-8-13-6-3-7-18(19)20(13)16/h1-7,10-12H,8-9H2 
  InChIKey: PMNATJJZOUNELG-UHFFFAOYSA-N

Safety Profile

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

Specification

 Acenaphthanthracene , its CAS NO. is 5779-79-3, the synonyms are  3:4-Dimethylene-1:2-benzanthracene ; 4,5-Dihydrobenz(k)acephenanthrylene ; 4-05-00-02638 (Beilstein Handbook Reference) ; BRN 3274312 ; Benz(k)acephenanthrene ; Benz(k)acephenanthrylene, 4,5-dihydro- .