Propane-1,1,1,3,3,3-d6,2-iodo- (6CI,9CI) supplier

Name
2-IODOPROPANE-1,1,1,3,3,3-D6
EINECS
CAS No. 39091-64-0
Article Data7
CAS DataBase
Density 1.81 g/cm³
Solubility
Melting Point
Formula C₃HD₆I
Boiling Point 91.262 °C at 760 mmHg
Molecular Weight 175.945
Flash Point 42.222 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,1,1,3,3,3-Hexadeutero-2-iodopropane;
PSA 0.00000
LogP 1.82980

Propane-1,1,1,3,3,3-d6,2-iodo- (6CI,9CI) Specification

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

Product Name

2-IODOPROPANE-1,1,1,3,3,3-D6

Propane-1,1,1,3,3,3-d6,2-iodo- (6CI,9CI) Specification

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