1-Iodo(3,3,3-2H3)propane

C₃H₄D₃ICAS 25493-16-7173.01 g/mol

Open in Covalent MOL file

Alkyl halide

Properties

Molecular formula: C₃H₄D₃I
Molar mass: 173.01 g/mol
Exact mass: 172.9781 Da
logP: 1.83Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 1

Hazards

Warning

H226 Flammable liquid and vapor100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers
H341 Suspected of causing genetic defects100% of notifiers
H351 Suspected of causing cancer100% of notifiers
H412 Harmful to aquatic life with long lasting effects100% of notifiers

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

Precautionary statements

P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P273, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

25493-16-7

SMILES

[2H]C([2H])([2H])CCI

InChIKey

PVWOIHVRPOBWPI-FIBGUPNXSA-N

InChI

InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3/i1D3

Weigh it out

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

Names and synonyms

1 names

1-Iodopropane-3,3,3-D3

Work with 1-Iodo(3,3,3-2H3)propane

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 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.

n-Propyl iodide107-08-4Unlabelled

Similar compounds

1,2-Diiodoethane624-73-742 % similar 1,3-Diiodopropane627-31-636 % similar 1,4-Diiodobutane628-21-736 % similar 1,10-Diiododecane16355-92-333 % similar 1,8-Diiodooctane24772-63-233 % similar 1,5-Diiodopentane628-77-333 % similar 1,6-Diiodohexane629-09-433 % similar

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

Same formula

Isopropyl iodide75-30-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook