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71444-46-7

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Basic Information
CAS No.: 71444-46-7
Name: METHOXY-D3-FLURANE
Article Data: 1
Molecular Structure:
Molecular Structure of 71444-46-7 (METHOXY-D3-FLURANE)
Formula: C3HD3Cl2F2O
Molecular Weight: 167.943
Synonyms: METHOXY-D3-FLURANE
Density: 1.417 g/cm3
Boiling Point: 104.999 °C at 760 mmHg
Flash Point: 10.637 °C
PSA: 9.23000
LogP: 2.02930
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  • Ethane,2,2-dichloro-1,1-difluoro-1-(methoxy-d3)- (9CI)

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    Ethane,2,2-dichloro-1,1-difluoro-1-(methoxy-d3)- (9CI)

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  • METHOXY-D3-FLURANE

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    METHOXY-D3-FLURANE

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Specification

This chemical is called 2,2-Dichloro-1,1-difluoro-1-[(2H3)methyloxy]ethane, and its CAS registry number is 71444-46-7. With the molecular formula of C3HD3Cl2F2O, its molecular weight is 167.98.

Other characteristics of the 2,2-Dichloro-1,1-difluoro-1-[(2H3)methyloxy]ethane can be summarised as followings: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.941; (4)ACD/LogD (pH 7.4): 1.941; (5)ACD/BCF (pH 5.5): 17.575; (6)ACD/BCF (pH 7.4): 17.575; (7)ACD/KOC (pH 5.5): 270.843; (8)ACD/KOC (pH 7.4): 270.843; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.383; (14)Molar Refractivity: 27.643 cm3; (15)Molar Volume: 118.508 cm3; (16)Polarizability: 10.959×10-24cm3; (17)Surface Tension: 23.01 dyne/cm; (18)Density: 1.417 g/cm3; (19)Flash Point: 10.637 °C; (20)Enthalpy of Vaporization: 32.975 kJ/mol; (21)Boiling Point: 104.999 °C at 760 mmHg; (22)Vapour Pressure: 35.006 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]C([2H])([2H])OC(C(Cl)Cl)(F)F
2.InChI: InChI=1/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3/i1D3
3.InChIKey: RFKMCNOHBTXSMU-FIBGUPNXEF