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Basic information
- CAS
13031-32-8- Standard SMILES
[2H]C([2H])([2H])[N+](=O)[O-]- InChIKey
LYGJENNIWJXYER-FIBGUPNXSA-N- Molecular formula
- CH3NO2
- Average molar mass
- 64.0583 g/mol
- Monoisotopic mass
- 64.03520857
Names & identifiers
- Preferred name
- Nitro(2H3)methane
- IUPAC
- Nitro(~2~H_3_)methane
- English name
- NITROMETHANE-D3
- Molecular formula
- CD3NO2
- Molecular weight
- 64.06
Names & synonyms
NITROMETHANE-D3Nitromethane-d?nitro(2H3)methaneisotopicpurity99%Methane-d3, nitro-Nitromethane-d3 NO.TRIDEUTERONITROMETHANEPerdeuteronitromethaneTrideuterionitromethanePerdeuterionitromethane
Database identifiers
- CAS
13031-32-8- PubChem CID
- 123293
- DTXSID
DTXSID90156449- ChEBI
CHEBI:193045- EC Number
- 235-892-2
- Nikkaji
- J213.705D
Properties
Physicochemical properties
- Melting point
- -29 °C · -29°C
- Boiling point
- 100 °C · 100 °C(lit.)
- Density
- 1.183 g/mL · 1.183 g/mL at 25 °C(lit.)
- vapor pressure
- 36 hPa · 36 hPa ( 20 °C)
- refractive index
- 20 · n20/D 1.3795(lit.)
- Flash point
- 95 °F · 95 °F
- storage temp.
- 15 °C · Store at +15°C to +25°C.
- solubility
- 117 g/l · 117g/l
- form
- Liquid
- color
- Colorless
- explosive limit
- 7.1 · 7.1-63%(V)
- Water Solubility
- 117 g/L · 117g/L
- Sensitive
- Hygroscopic
- BRN
- 1751076 · 1751076
- Exposure limits
- 20 ppmOSHA: · ACGIH: TWA 20 ppmOSHA: TWA 100 ppm(250 mg/m3)NIOSH: IDLH 750 ppm
- Stability
- May detonate if sensitized by amines, alkalies, strong acids, high temperatures or adiabatic compression. The dry alkali or amine salts are shock-sensitive and the sodium salt ignites on contact with water. Flammable. Incompatible with amines, strong acids, strong bases, strong oxidizing agents, strong reducing agents, copper, copper alloys,
- InChI
- 1S/CH3NO2/c1-2(3)4/h1H3/i1D3
- InChIKey
- LYGJENNIWJXYER-FIBGUPNXSA-N
- SMILES
- [2H]C([2H])([2H])[N+]([O-])=O
- CAS DataBase Reference
- 13031 · 13031-32-8(CAS DataBase Reference)
- UNSPSC Code
- 12142201 · 12142201
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- F
- 10
- wgk
- 3
- tsca
- Yes
- ridadr
- UN 1261 3/PG 2
- hs_code
- 28459000
- risk_code
- 5-10-22-2005/10/22
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xn
- safety_code
- 41
- hazard_class
- 3
- Storage Class
- 4.1A - Other explosive hazardous materials
- packing_group
- II
- Hazard statements
- H226-H302
- Limited Quantities
- 1.0 L (0.3 gallon) (liquid)
- Excepted Quantities
- Not Permitted as Excepted Quantity
- Hazard Classifications
- Acute Tox. 4 InhalationAcute Tox. 4 OralCarc. 2Flam. Liq. 3Repr. 2
- Autoignition Temperature
- 415°C
- Precautionary statements
- P210-P233-P240-P241-P242-P301+P312
Chemistry & industry
Applications
UsesAsymmetric transformation of a double-stranded, dicopper(I) helicate containing achiral bis(bidentate) Schiff bases.: This study used Nitromethane-d₃ to investigate the asymmetric transformation in dicopper(I) helicates, providing insights into chiral synthesis and coordination chemistry applications (Habermehl et al., 2006). Reversing a rotaxane recognition motif: threading oligoethylene glycol derivatives through a dicationic cyclophane.: The research employed Nitromethane-d₃ in the synthesis and study of rotaxanes, focusing on molecular recognition and self-assembly processes important for developing advanced materials and nanotechnology (Chiu and Stoddart, 2002).
General DescriptionNitromethane-d3 is a deuterated derivative of nitromethane. Its pyrolytic decomposition in the absence and presence of nitrogen dioxide have been studied. Molecular structure studies suggest that its molecule is composed of a highly asymetrical top consisting of a heavy planar frame of NO2 (C2v symmetry) and a lighter top of CD3 (C3v symmetry). Rotational constants, high-resolution Fourier transform infrared (FTIR) spectrum and DFT (Density Functional Theory) calculations of nitromethane-d3 have been evaluated. Various physicochemical properties (densities, viscosities, speed of sound and refractive indices) of CD3NO2 have been evaluated in the temperature range of 293K to 308K.
Suppliers46 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海稳同科技有限公司
Related reactions
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Compound notes
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