Methyl-d3 iodide
Properties
- Molecular formula
- CD3I
- Molar mass
- 144.96 g/mol
- Exact mass
- 144.9468 Da
- Boiling point
- 40–42 °C
- logP
- 1.05Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Hazards
Danger
- H301+H331 Toxic if swallowed or if inhaled93.2% of notifiers
- H301 Toxic if swallowed100% of notifiers
- H312 Harmful in contact with skin100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H317 May cause an allergic skin reaction88.6% of notifiers
- H331 Toxic if inhaled100% of notifiers
- H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled88.6% of notifiers
- H335 May cause respiratory irritation100% of notifiers
- H351 Suspected of causing cancer100% of notifiers
- H371 May cause damage to organs88.6% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P316, P302+P352, P304+P340, P308+P316, P316, P317, P318, P319, P321, P330, P332+P317, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501
Identifiers
CAS number
865-50-9SMILES
[2H]C([2H])([2H])IInChIKey
INQOMBQAUSQDDS-FIBGUPNXSA-NInChI
InChI=1S/CH3I/c1-2/h1H3/i1D3Characterization data
Calculated from the structure, in the form journals print them.
¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ .¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ −9.5.[M + H]+
[M + H]+ Calcd for CHD3I 145.9541[M + Na]+
[M + Na]+ Calcd for CD3INa 167.9360Elemental analysis
Anal. Calcd for CD3I: C, 8.29; H, 4.17.Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- Methane-d3, iodo-
- Iodomethane-d3
- Trideuteromethyl iodide
- Trideuterioiodomethane
- Trideuteriomethyl iodide
- Perdeuteriomethyl iodide
- Perdeuteroiodomethane
- Iodotrideuteriomethane
- Methyl iodide (CD3I)
- Trideutero(iodo)methane
Work with Methyl-d3 iodide
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.