Cas no 13183-67-0 (Butane-1,1,1,4,4,4-d6(7CI,8CI,9CI))
13183-67-0 structure
Product Name:Butane-1,1,1,4,4,4-d6(7CI,8CI,9CI)
Butane-1,1,1,4,4,4-d6(7CI,8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Butane-1,1,1,4,4,4-d6(7CI,8CI,9CI)
- 1,1,1,4,4,4-Hexadeuterio-butan
- 1,1,1,4,4,4-hexadeuterio-butane
- 488305_ALDRICH
- AK-57719
- Butan-1,1,1,4,4,4-d(6)
- Butane-1,1,1,4,4,4-d6
- n-butane-1,1,1,4,4,4-d6
- n-Butane-d6
- THENOTHIOLASODIUM
- n-Butane-1,1,1,4,4,4-D6 (gas)
- BUTANE-1,1,1,4,4,4-D6, 98 ATOM % D
- J-006064
- DTXSID50583919
- 13183-67-0
- (1,1,1,4,4,4-~2~H_6_)Butane
- 1,1,1,4,4,4-hexadeuteriobutane
- AKOS022180691
- Butane-1,1,1,4,4,4-d6 (7CI,8CI,9CI)
-
- Inchi： 1S/C4H10/c1-3-4-2/h3-4H2,1-2H3/i1D3,2D3
- InChI Key： IJDNQMDRQITEOD-WFGJKAKNSA-N
- SMILES： C(C([2H])([2H])[2H])CC([2H])([2H])[2H]
Computed Properties
- Exact Mass: 64.115910795g/mol
- Monoisotopic Mass: 64.115910795g/mol
- Isotope Atom Count: 6
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 4
- Rotatable Bond Count: 1
- Complexity: 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: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 0?2
Experimental Properties
- Color/Form: Not available
- Density: 2.11 (vs air)
- Melting Point: ?138?°C(lit.)
- Boiling Point: ?0.5?°C(lit.)
- Refractive Index: 1.354
- Vapor Pressure: 51.6 psi ( 37.7 °C)
- Solubility: Not available
Butane-1,1,1,4,4,4-d6(7CI,8CI,9CI) Security Information
- Hazardous Material transportation number：UN 1011 2.1
- WGK Germany：3
- Hazard Category Code： 11-36/37-12
- Safety Instruction： 16-26-33-38
-
Hazardous Material Identification：
- Risk Phrases：11-36/37
Butane-1,1,1,4,4,4-d6(7CI,8CI,9CI) Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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