Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Propane-1,1,1,3,3,3-d6,2-iodo- (6CI,9CI) |
EINECS | N/A |
CAS No. | 39091-64-0 | Density | 1.81 g/cm3 |
PSA | 0.00000 | LogP | 1.82980 |
Solubility | N/A | Melting Point |
N/A |
Formula | C3HD6I | Boiling Point | 91.262 °C at 760 mmHg |
Molecular Weight | 175.945 | Flash Point | 42.222 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1,1,1,3,3,3-Hexadeutero-2-iodopropane; |
Article Data | 7 |
The CAS registry number of Propane-1,1,1,3,3,3-d6,2-iodo- (6CI,9CI) is 39091-64-0. This chemical is also named as Isopropyl Iodide. In addition, its molecular formula is C3HD6I and molecular weight is 176.03. Its systematic name is called 2-Iodo(1,1,1,3,3,3-2H6)propane.
Physical properties about Propane-1,1,1,3,3,3-d6,2-iodo- (6CI,9CI) are: (1)ACD/LogP: 2.47; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.472; (4)ACD/LogD (pH 7.4): 2.472; (5)ACD/BCF (pH 5.5): 44.565; (6)ACD/BCF (pH 7.4): 44.565; (7)ACD/KOC (pH 5.5): 527.189; (8)ACD/KOC (pH 7.4): 527.189; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.506; (13)Molar Refractivity: 28.876 cm3; (14)Molar Volume: 97.259 cm3; (15)Surface Tension: 27.577 dyne/cm; (16)Density: 1.81 g/cm3; (17)Flash Point: 42.222 °C; (18)Enthalpy of Vaporization: 30.68 kJ/mol; (19)Boiling Point: 91.262 °C at 760 mmHg; (20)Vapour Pressure: 61.431 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])([2H])C(C([2H])([2H])[2H])I
(2)InChI: InChI=1/C3H7I/c1-3(2)4/h3H,1-2H3/i1D3,2D3
(3)InChIKey: FMKOJHQHASLBPH-WFGJKAKNEW