Cas no 112898-45-0 (Methane-13C-d3, nitro-(9CI))
Methane-13C-d3, nitro-(9CI) structure
Product Name:Methane-13C-d3, nitro-(9CI)
CAS No:112898-45-0
MF:CH3NO2
MW:65.0511600971222
CID:129969
PubChem ID:16211896
Update Time:2025-04-19
Methane-13C-d3, nitro-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- Methane-13C-d3, nitro-(9CI)
- NITROMETHANE-13C-D3
- NITROMETHANE-13C-D3, 99 ATOM % 13C, 99 A TOM % D
- Trideuterio(nitro)(113C)methane
- Nitromethane-13c-d3,99 atom % 13c,99 a tom % d
- DTXSID10583511
- Nitro(~13~C,~2~H_3_)methane
- Nitromethane-13C,d3, 99 atom % 13C, 99 atom % D
- 112898-45-0
-
- Inchi： 1S/CH3NO2/c1-2(3)4/h1H3/i1+1D3
- InChI Key： LYGJENNIWJXYER-KQORAOOSSA-N
- SMILES： [O-][N+]([13C]([2H])([2H])[2H])=O
Computed Properties
- Exact Mass: 61.01639
- Monoisotopic Mass: 65.038563412g/mol
- Isotope Atom Count: 4
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 4
- Rotatable Bond Count: 0
- Complexity: 27.5
- 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: 2
- XLogP3: 0.1
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- Color/Form: Not determined
- Density: 1.201?g/mL?at 25?°C
- Melting Point: -29?°C(lit.)
- Boiling Point: 101?°C(lit.)
- Flash Point: 95?°F
- PSA: 43.14
- Solubility: Not determined
Methane-13C-d3, nitro-(9CI) Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI （ SHANG HAI ） MAO YI Co., Ltd. | 299138-1G |
Methane-13C-d3, nitro-(9CI) |
112898-45-0 | 99 atom % | 1g |
￥8743.22 | 2023-12-09 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | SA03120-1g |
Methane-13C-d3, nitro-(9CI) |
112898-45-0 | 99% (CP) | 1g |
￥11138.0 | 2024-07-19 |
Methane-13C-d3, nitro-(9CI) Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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