BENZO(A)ANTHRACENE D12

The Benz[a]anthracene-d₁₂ is an organic compound with the formula C₁₈D₁₂. The systematic name of this chemical is 1,2,3,4,5,6,7,8,9,10,11,12-dodecadeuteriobenzo[h]phenanthrene. With the CAS registry number , it is also named as 1,2-Benzanthracene. The product's categories are BA - Bhepa; Method 625Environmental Standards; 600 Series Wastewater Methods; A-BAlphabetic; Alpha Sort; B; PAHs; Volatiles/Semivolatiles. Besides, it should be stored in a closed well-ventilated and dry place.

Physical properties about Benz[a]anthracene-d₁₂ are: (1)ACD/LogP: 5.91; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.91; (4)ACD/LogD (pH 7.4): 5.91; (5)Index of Refraction: 1.771; (6)Molar Refractivity: 79.78 cm³; (7)Molar Volume: 191.7 cm³; (8)Polarizability: 31.62×10^-24cm³; (9)Surface Tension: 53.5 dyne/cm; (10)Density: 1.253 g/cm³; (11)Flash Point: 209.1 °C; (12)Enthalpy of Vaporization: 66.65 kJ/mol; (13)Boiling Point: 436.7 °C at 760 mmHg; (14)Vapour Pressure: 2.02E-07 mmHg at 25°C.

Preparation of Benz[a]anthracene-d₁₂: this chemical can be prepared by benzo[a]anthracene. This reaction will need reagent DCl-D₂O (2 percent w/v). The reaction time is 50 hours with reaction temperature of 250 °C. The yield is about 92%.

When you are using this chemical, please be cautious about it as the following:
It is toxic by inhalation, in contact with skin and if swallowed. It has possible risk of harm to the unborn child. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible). Besides, this chemical is irritating to eyes, respiratory system and skin. It may cause sensitisation by skin contact and may cause cancer and heritable genetic damage. When you are using it, wear suitable gloves and eye/face protection, do not breathe dust, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]c4c2c(c([2H])c([2H])c1c([2H])c3c(c([2H])c12)c([2H])c([2H])c([2H])c3[2H])c([2H])c([2H])c4[2H]
(2)InChI: InChI=1/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
(3)InChIKey: DXBHBZVCASKNBY-AQZSQYOVEQ
(4)Std. InChI: InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
(5)Std. InChIKey: DXBHBZVCASKNBY-AQZSQYOVSA-N