Cas no 52168-52-2 (2-methyl-2-nitropropane-d9)
2-methyl-2-nitropropane-d9 structure
Product Name:2-methyl-2-nitropropane-d9
CAS No:52168-52-2
MF:C4H9NO2
MW:112.175216436386
CID:936493
PubChem ID:12336465
Update Time:2025-04-19
2-methyl-2-nitropropane-d9 Chemical and Physical Properties
Names and Identifiers
-
- 2-methyl-2-nitropropane-d9
- 1,1,1,3,3,3-hexadeuterio-2-nitro-2-(trideuteriomethyl)propane
- 2-METHYL-2-NITROPROPANE, [D9]
- DTXSID50491429
- 2-Methyl-2-nitropropane-d9, 98 atom % D
- 2-(~2~H_3_)Methyl-2-nitro(~2~H_6_)propane
- 52168-52-2
-
- Inchi： 1S/C4H9NO2/c1-4(2,3)5(6)7/h1-3H3/i1D3,2D3,3D3
- InChI Key： AIMREYQYBFBEGQ-GQALSZNTSA-N
- SMILES： [O-][N+](C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H])=O
Computed Properties
- Exact Mass: 112.119819243g/mol
- Monoisotopic Mass: 112.119819243g/mol
- Isotope Atom Count: 9
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 76.7
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Color/Form: Not available
- Density: 1.034?g/mL?at 25?°C
- Boiling Point: 126-127?°C(lit.)
- Flash Point: 67?°F
- Refractive Index: n20/D 1.4(lit.)
- Solubility: Not available
2-methyl-2-nitropropane-d9 Security Information
- Hazardous Material transportation number：UN 1993 3/PG 2
- WGK Germany：3
- Hazard Category Code： 11-36/37/38
- Safety Instruction： 16-26-36/37/39
-
Hazardous Material Identification：
2-methyl-2-nitropropane-d9 Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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