Cas no 84809-71-2 (2-propanol-1,1,1-d3)
2-propanol-1,1,1-d3 structure
Product Name:2-propanol-1,1,1-d3
CAS No:84809-71-2
MF:C3H8O
MW:63.1135063171387
CID:888195
PubChem ID:12213345
Update Time:2025-04-19
2-propanol-1,1,1-d3 Chemical and Physical Properties
Names and Identifiers
-
- 2-propanol-1,1,1-d3
- 1,1,1-trideuteriopropan-2-ol
- 84809-71-2
- 2-propanol-d3
- DTXSID30480715
- 2-Propanol-1,1,1-d3, 98 atom % D
-
- Inchi： 1S/C3H8O/c1-3(2)4/h3-4H,1-2H3/i1D3
- InChI Key： KFZMGEQAYNKOFK-FIBGUPNXSA-N
- SMILES： OC(C)C([2H])([2H])[2H]
Computed Properties
- Exact Mass: 63.076345112g/mol
- Monoisotopic Mass: 63.076345112g/mol
- Isotope Atom Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 4
- Rotatable Bond Count: 0
- Complexity: 10.8
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.3
- Topological Polar Surface Area: 20.2?2
Experimental Properties
- Melting Point: -90?°C
- Boiling Point: 82?°C
- Flash Point: 12?°C
2-propanol-1,1,1-d3 Security Information
- Hazardous Material transportation number：UN 1219 3/PG 2
- Hazard Category Code： 11-36-67
- Safety Instruction： 7-16-24/25-26
-
Hazardous Material Identification：
2-propanol-1,1,1-d3 Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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