Cas no 71444-46-7 (Ethane,2,2-dichloro-1,1-difluoro-1-(methoxy-d3)- (9CI))
71444-46-7 structure
Product Name:Ethane,2,2-dichloro-1,1-difluoro-1-(methoxy-d3)- (9CI)
CAS No:71444-46-7
MF:C3H4Cl2F2O
MW:164.966066360474
CID:562738
Update Time:2024-03-05
Ethane,2,2-dichloro-1,1-difluoro-1-(methoxy-d3)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Ethane,2,2-dichloro-1,1-difluoro-1-(methoxy-d3)- (9CI)
- METHOXY-D3-FLURANE
-
- Inchi： 1S/C3H4Cl2F2O/c1-8-3(6,7)2(4)5/h2H,1H3
- InChI Key： RFKMCNOHBTXSMU-UHFFFAOYSA-N
- SMILES： C(F)(F)(OC([H])([H])[H])C(Cl)Cl
Computed Properties
- Exact Mass: 166.98
- Monoisotopic Mass: 166.98
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 75.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 9.2A^2
Experimental Properties
- Density: 1.417
- Boiling Point: 104.999 °C at 760 mmHg
- Flash Point: 10.637 °C
Ethane,2,2-dichloro-1,1-difluoro-1-(methoxy-d3)- (9CI) Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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