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Chrysene-d12

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Name

Chrysene-d12

EINECS N/A
CAS No. 1719-03-5 Density 1.253 g/cm3
PSA 0.00000 LogP 5.14620
Solubility N/A Melting Point 252-254 °C(lit.)
Formula C18D12 Boiling Point 448 °C at 760 mmHg
Molecular Weight 240.198 Flash Point 209.1 °C
Transport Information UN 3077 Appearance white flaky solid
Safety 53-45-60-61 Risk Codes 45-50/53-68
Molecular Structure Molecular Structure of 1719-03-5 (CHRYSENE-D12) Hazard Symbols ToxicT,DangerousN
Synonyms

Dodecadeuteriochrysene;Perdeuteriochrysene;

 

Chrysene-d12 Specification

This chemical is called Chrysene-d12, and its systematic name is (2H12)chrysene. With the molecular formula of C18D12, its molecular weight is 240.36. The CAS registry number of this chemical is 1719-03-5. Additionally, its product categories are Alphabetical Listings; Stable Isotopes; Alpha Sort; C; CAlphabetic; PAHs; Volatiles/ Semivolatiles.

Other characteristics of the Chrysene-d12 can be summarised as followings: (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)ACD/BCF (pH 5.5): 18276.25; (6)ACD/BCF (pH 7.4): 18276.25; (7)ACD/KOC (pH 5.5): 39106.2; (8)ACD/KOC (pH 7.4): 39106.2; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.771; (13)Molar Refractivity: 79.78 cm3; (14)Molar Volume: 191.7 cm3; (15)Polarizability: 31.62×10-24cm3; (16)Surface Tension: 53.5 dyne/cm; (17)Density: 1.253 g/cm3; (18)Flash Point: 209.1 °C; (19)Enthalpy of Vaporization: 67.93 kJ/mol; (20)Boiling Point: 448 °C at 760 mmHg; (21)Vapour Pressure: 8.5E-08 mmHg at 25°C.

Production method of this chemical: The Chrysene-d12 could be obtained by the reactant of chrysene. This reaction needs the reagent of DCl-D2O (2percent w/v). The yield is 89 %. In addition, this reaction should be taken for 50 hours at the temperature of 250 °C.

The Chrysene-d12 could be obtained by the reactant of chrysene

When you are using this chemical, please be cautious about it as the following: This chemcial is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It may cause cancer. Avoid exposure - obtain special instructions before use and avoid releasing to the environment. Refer to special instructions / safety data sheets. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.). This material and its container must be disposed of as hazardous waste. 

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]c4c3c(c([2H])c([2H])c2c1c([2H])c([2H])c([2H])c([2H])c1c([2H])c([2H])c23)c([2H])c([2H])c4[2H]
2.InChI: InChI=1/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H/i1D,2D,3D,4D,5D,6D,7D,8D,9D,10D,11D,12D
3.InChIKey: WDECIBYCCFPHNR-AQZSQYOVEO

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