Acetonitrile-D3

C₂D₃NCAS 2206-26-044.07 g/mol

Open in Covalent MOL file

Nitrile

Properties

Molecular formula: C₂D₃N
Molar mass: 44.07 g/mol
Exact mass: 44.0454 Da
Density: 0.849 g/mL (at 20 °C)
Melting point: −45 °C
Boiling point: 81.3 °C
logP: 0.53Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Danger

H225 Highly Flammable liquid and vapor96.4% of notifiers
H302 Harmful if swallowed80% of notifiers
H312 Harmful in contact with skin89.1% of notifiers
H319 Causes serious eye irritation92.7% of notifiers
H332 Harmful if inhaled80% of notifiers

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, P370+P378, P403+P235, P501

Identifiers

CAS number

2206-26-0

SMILES

[2H]C([2H])([2H])C#N

InChIKey

WEVYAHXRMPXWCK-FIBGUPNXSA-N

InChI

InChI=1S/C2H3N/c1-2-3/h1H3/i1D3

Weigh it out

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

Names and synonyms

8 names

Acetonitrile-2,2,2-d3
Methyl-d3 cyanide
Trideuteroacetonitrile
Perdeuteroacetonitrile
Trideuterioacetonitrile
Perdeuterioacetonitrile
d3-Acetonitrile
(2H3)Acetonitrile

Work with Acetonitrile-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.

Acetonitrile75-05-8Unlabelled

Same formula

Methyl isocyanide593-75-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook