Nitromethane-D3

CD₃NO₂CAS 13031-32-864.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: CD₃NO₂
Molar mass: 64.06 g/mol
Exact mass: 64.0352 Da
Density: 1.1672 g/mL (at 25 °C)
Boiling point: 100 °C
logP: -0.11Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H302 Harmful if swallowed100% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, P501

Identifiers

CAS number

13031-32-8

SMILES

[2H]C([2H])([2H])[N+](=O)[O-]

InChIKey

LYGJENNIWJXYER-FIBGUPNXSA-N

InChI

InChI=1S/CH3NO2/c1-2(3)4/h1H3/i1D3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

Methane-d3, nitro-
Trideuterionitromethane
Perdeuteronitromethane
Perdeuterionitromethane
Trideuteronitromethane
Nitro(2H3)methane

Work with Nitromethane-D3

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Nitromethane75-52-5Unlabelled

Similar compounds

Nitrate14797-55-831 % similar Nitroethylene3638-64-030 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl nitrite624-91-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook