13183-68-1

The CAS registry number of Propane-2-d, 2-methyl-(7CI,8CI,9CI) is 13183-68-1. This chemical is also named as 2-methyl(2-2H)propane. In addition, its molecular formula is C₄H₉D and molecular weight is 59.13. Its IUPAC name is called 2-methyl-2-protiopropane.

Physical properties about Propane-2-d, 2-methyl-(7CI,8CI,9CI) are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.7; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 66.02; (6)ACD/BCF (pH 7.4): 66.02; (7)ACD/KOC (pH 5.5): 698.43; (8)ACD/KOC (pH 7.4): 698.43; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.352; (13)Molar Refractivity: 20.53 cm³; (14)Molar Volume: 94.9 cm³; (15)Surface Tension: 15.5 dyne/cm; (16)Density: 0.622 g/cm³; (17)Enthalpy of Vaporization: 21.3 kJ/mol; (18)Vapour Pressure: 2580 mmHg at 25°C.

Uses of Propane-2-d, 2-methyl-(7CI,8CI,9CI): it can be used to produce 1,1,1,2,3,3,3-heptadeuterio-2-trideuteriomethyl-propane at temperature of 20 °C. This reaction is a kind of Substitution. It will need reagent D₂SO₄ with reaction time of 8 hours. The yield is about 98 %.

When you are using this chemical, please be cautious about it as the following:
This chemical may catch fire in contact with air, only need brief contact with an ignition source, have a very low flash point or evolve highly flammable gases in contact with water. It is highly flammable. You should take precautionary measures against static discharges. Whenever you will contact it, please wear suitable protective clothing. In case of insufficient ventilation wear suitable respiratory equipment. Finally, you must keep it away from sources of ignition - No smoking.

You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C(C)(C)C
(2)InChI: InChI=1/C4H10/c1-4(2)3/h4H,1-3H3/i4D
(3)InChIKey: NNPPMTNAJDCUHE-QYKNYGDIEI