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7,12-Dimethylbenz(a)anthracene, deuterated

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Name

7,12-Dimethylbenz(a)anthracene, deuterated

EINECS N/A
CAS No. 32976-87-7 Density 1.214g/cm3
PSA 0.00000 LogP 5.76300
Solubility N/A Melting Point N/A
Formula C20D16 Boiling Point 463.5°C at 760 mmHg
Molecular Weight 272.36 Flash Point 227.3°C
Transport Information N/A Appearance N/A
Safety Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. See also DIMETHYLBENZANTHRACENE. Risk Codes N/A
Molecular Structure Molecular Structure of 32976-87-7 (7,12-Di(2H3)methyl-[1,2,3,4,5,6,8,9,10,11-2H10]benz[a]anthracene) Hazard Symbols N/A
Synonyms

N/A

 

7,12-Dimethylbenz(a)anthracene, deuterated Chemical Properties

Synonyms of 7,12-Dimethylbenz(a)anthracene, deuterated (CAS NO.32976-87-7): 7,12-Dimethylbenz(a)anthracene-d16 ; Benz(a)anthracene-d16, 7,12-dimethyl-
CAS NO: 32976-87-7
Molecular Formula: C20D16
Molecular Weight: 272.4396
Molecular Structure :
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å2
Index of Refraction: 1.728
Molar Refractivity: 89.43 cm3
Molar Volume: 224.3 cm3
Surface Tension: 49.1 dyne/cm
Density: 1.214 g/cm3
Flash Point: 227.3 °C
Enthalpy of Vaporization: 69.69 kJ/mol
Boiling Point: 463.5 °C at 760 mmHg
Vapour Pressure: 2.51E-08 mmHg at 25°C
InChI: InChI=1/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
InChIKey: ARSRBNBHOADGJU-QRHMKPRTEW
Std. InChI: InChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3/i1D3,2D3,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
Std. InChIKey: ARSRBNBHOADGJU-QRHMKPRTSA-N

7,12-Dimethylbenz(a)anthracene, deuterated Safety Profile

Questionable carcinogen with experimental tumorigenic data. When 7,12-Dimethylbenz(a)anthracene, deuterated (CAS NO.32976-87-7) is heated to decomposition ,it emits acrid smoke and irritating fumes. See also DIMETHYLBENZANTHRACENE.

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