Cas no 116008-90-3 (2-Butene-1,1,1-d3 (6CI))
2-Butene-1,1,1-d3 (6CI) structure
Product Name:2-Butene-1,1,1-d3 (6CI)
CAS No:116008-90-3
MF:C4H8
MW:59.1248064041138
CID:137931
Update Time:2024-01-25
2-Butene-1,1,1-d3 (6CI) Chemical and Physical Properties
Names and Identifiers
-
- 2-Butene-1,1,1-d3 (6CI)
- 1,1,1-Trichloroperfluoro-n-heptane
- 1,1,1-trideuterio-but-2-ene
- ACMC-20lc8y
- AGN-PC-001GJ0
- CTK3A8473
- Heptane, 1,1,1-trichloro-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-
- 2-Butene-d3
- 2-BUTENE-1,1,1-D3
- 2-Butene-1,1,1-D3 (gas)
- 2-Butene-1,1,1-d3, mixture of cis and trans
-
- Inchi： 1S/C4H8/c1-3-4-2/h3-4H,1-2H3/b4-3+/i1D3
- InChI Key： IAQRGUVFOMOMEM-VGIDZVCYSA-N
- SMILES： C(=C/C)\C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 62.10026
- Monoisotopic Mass: 59.081
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 4
- Rotatable Bond Count: 0
- Complexity: 15.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.3
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Boiling Point: 1?°C
- Flash Point: -20?°C
- PSA: 0
- LogP: 1.58240
2-Butene-1,1,1-d3 (6CI) Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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