Deuterated methanol
Properties
- Molecular formula
- CD4O
- Molar mass
- 36.07 g/mol
- Exact mass
- 36.0513 Da
- Density
- 0.888 g/mL (at 25 °C)
- Melting point
- 11 °C
- Boiling point
- 65.3–65.6 °C
- logP
- -0.39Crippen estimate
- Polar surface area
- 20.2 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H225 Highly Flammable liquid and vapor59.1% of notifiers
- H301 Toxic if swallowed58% of notifiers
- H311 Toxic in contact with skin58% of notifiers
- H331 Toxic if inhaled53.4% of notifiers
- H370 Causes damage to organs59.1% of notifiers
Aggregated from 88 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P308+P316, P316, P321, P330, P361+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
811-98-3SMILES
[2H]OC([2H])([2H])[2H]InChIKey
OKKJLVBELUTLKV-MZCSYVLQSA-NInChI
InChI=1S/CH4O/c1-2/h2H,1H3/i1D3,2DWeigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
10 names
- Methan-d3-ol-d
- Methanol-d4
- Perdeuteriomethanol
- Tetradeuteromethanol
- Perdeuterated methanol
- Perdeuteromethanol
- Methyl-d3 alcohol-d
- Tetradeuteriomethanol
- Perdeuterated methyl alcohol
- Methyl hydroxide (CD3OD)
Work with Deuterated methanol
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.
Methanol67-56-1Unlabelled
Methan(2H)ol1455-13-6Other labelling
Sodium methoxide124-41-4Salt, unlabelled
Potassium methoxide865-33-8Salt, unlabelled
Lithium methoxide865-34-9Salt, unlabelled
Methanol-boron trifluoride complex (2:1)2802-68-8Salt, unlabelled
Magnesium methoxide109-88-6Salt, unlabelled
Calcium methoxide2556-53-8Salt, unlabelled
Copper(II) methoxide76890-98-7Salt, unlabelled