Cas no 7582-04-9 (butane-d10)
butane-d10 structure
Product Name:butane-d10
butane-d10 Chemical and Physical Properties
Names and Identifiers
-
- butane-d10
- N-BUTANE (D10)
- n-Butane-D10 (gas)
- (2H10)Butane
- 1-Butene-13C
- (~2~H_10_)Butane
- Q63408859
- BUTANE (D10)
- DTXSID60583920
- 1,1,1,2,2,3,3,4,4,4-decadeuteriobutane
- Butane-d10, 98 atom % D
- 7582-04-9
-
- Inchi： 1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1D3,2D3,3D2,4D2
- InChI Key： IJDNQMDRQITEOD-MWUKXHIBSA-N
- SMILES： C([2H])([2H])(C([2H])([2H])[2H])C([2H])([2H])C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 68.141017778g/mol
- Monoisotopic Mass: 68.141017778g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 5
- Rotatable Bond Count: 0
- Complexity: 31
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Topological Polar Surface Area: 37.3
- XLogP3: 2.9
Experimental Properties
- Color/Form: Gas
- Melting Point: ?138?°C(lit.)
- Boiling Point: ?0.5?°C(lit.)
- Flash Point: -60?°C
- Vapor Pressure: 51.6 psi ( 37.7 °C)
- Solubility: Not determined
butane-d10 Security Information
- Hazardous Material transportation number：UN 1011 2.1
- WGK Germany：3
- Hazard Category Code： 11-43-12-46-45
- Safety Instruction： 16-33-36/37-45-53
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Hazardous Material Identification：
butane-d10 Related Literature
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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