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5-Isopropyl-1:2-benzanthracene

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Name

5-Isopropyl-1:2-benzanthracene

EINECS N/A
CAS No. 63020-47-3 Density 1.117g/cm3
PSA 0.00000 LogP 6.26960
Solubility N/A Melting Point N/A
Formula C21H18 Boiling Point 455.4°C at 760 mmHg
Molecular Weight 270.39 Flash Point 223.6°C
Transport Information N/A Appearance N/A
Safety Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and fumes. Risk Codes N/A
Molecular Structure Molecular Structure of 63020-47-3 (8-Isopropylbenz[a]anthracene) Hazard Symbols N/A
Synonyms

5-Isopropyl-1:2-benzanthracene;

 

5-Isopropyl-1:2-benzanthracene Chemical Properties

Molecule structure of 5-Isopropyl-1:2-benzanthracene (CAS NO.63020-47-3):

IUPAC Name: 8-Propan-2-ylbenzo[b]phenanthrene 
Molecular Weight: 270.36762 g/mol
Molecular Formula: C21H18 
Density: 1.117 g/cm3 
Boiling Point: 455.4 °C at 760 mmHg 
Flash Point: 223.6 °C
Index of Refraction: 1.704
Molar Refractivity: 93.96 cm3
Molar Volume: 241.8 cm3
Polarizability: 37.25×10-24 cm3
Surface Tension: 47.1 dyne/cm 
Enthalpy of Vaporization: 68.77 kJ/mol
Vapour Pressure: 4.77E-08 mmHg at 25 °C
XLogP3-AA: 6.8
Rotatable Bond Count: 1
Exact Mass: 270.140851
MonoIsotopic Mass: 270.140851
Heavy Atom Count: 21
Complexity: 357
Canonical SMILES: CC(C)C1=CC=CC2=CC3=C(C=CC4=CC=CC=C43)C=C21
InChI: InChI=1S/C21H18/c1-14(2)18-9-5-7-16-12-21-17(13-20(16)18)11-10-15-6-3-4-8-19(15)21/h3-14H,1-2H3
InChIKey: NGMWIFWFBDGYLI-UHFFFAOYSA-N
Classification Code of 5-Isopropyl-1:2-benzanthracene (CAS NO.63020-47-3): Tumor data

5-Isopropyl-1:2-benzanthracene Safety Profile

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

5-Isopropyl-1:2-benzanthracene Specification

 5-Isopropyl-1:2-benzanthracene (CAS NO.63020-47-3) is also named as 3-05-00-02425 (Beilstein Handbook Reference) ; 8-Isopropylbenz(a)anthracene ; BRN 3282851 ; Benz(a)anthracene, 8-isopropyl- .

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