PROPIONITRILE-D5

The Propanenitrile-2,2,3,3,3-d₅, with the CAS registry number 10419-75-7, is also known as 2,2,3,3,3-Pentadeuteropropionitrile. It belongs to the product categories of Alphabetical Listings; P; Stable Isotopes. This chemical's molecular formula is C₃D₅N and molecular weight is 60.11. What's more, its systematic name is (^₂H₅)propanenitrile. It should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidants.

Physical properties of Propanenitrile-2,2,3,3,3-d₅ are: (1)ACD/LogP: 0.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.08; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 26.47; (6)#H bond acceptors: 1; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 23.79 Å²; (10)Index of Refraction: 1.362; (11)Molar Refractivity: 15.86 cm³; (12)Molar Volume: 71.4 cm³; (13)Polarizability: 6.28×10^-24cm³; (14)Surface Tension: 25 dyne/cm; (15)Density: 0.841 g/cm³; (16)Flash Point: 6.1 °C; (17)Enthalpy of Vaporization: 31.81 kJ/mol; (18)Boiling Point: 91.3 °C at 760 mmHg; (19)Vapour Pressure: 54.2 mmHg at 25°C.

Preparation: this chemical can be prepared by bromo-pentadeuterio-ethane, tetraethylammonium cyanide. The yield is about 42%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is very toxic by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you should seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C([2H])([2H])C#N
(2)InChI: InChI=1S/C3H5N/c1-2-3-4/h2H2,1H3/i1D3,2D2
(3)InChIKey: FVSKHRXBFJPNKK-ZBJDZAJPSA-N