n-Propyl iodide
Properties
- Molecular formula
- C3H7I
- Molar mass
- 169.99 g/mol
- Exact mass
- 169.9592 Da
- Density
- 1.73 g/mL (at 30 °C)
- Melting point
- −101.3 °C
- Boiling point
- 102.6 °C
- logP
- 1.83Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 1
Hazards
Warning
- H226 Flammable liquid and vapor100% of notifiers
- H302+H332 Harmful if swallowed or if inhaled76% of notifiers
- H302 Harmful if swallowed86% of notifiers
- H315 Causes skin irritation86% of notifiers
- H319 Causes serious eye irritation86% of notifiers
- H332 Harmful if inhaled96% of notifiers
- H335 May cause respiratory irritation84% of notifiers
- H412 Harmful to aquatic life with long lasting effects82% of notifiers
Aggregated from 50 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, P273, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501
Identifiers
CAS number
107-08-4SMILES
CCCIInChIKey
PVWOIHVRPOBWPI-UHFFFAOYSA-NInChI
InChI=1S/C3H7I/c1-2-3-4/h2-3H2,1H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
5 names
- Propane, 1-iodo-
- 1-Iodopropane
- Propyl iodide
- Propane iodide
- 3-Iodopropane
Work with n-Propyl 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.
Similar compounds
Butyl iodide542-69-860 % similar
1-Iodopentane628-17-156 % similar
1-Iododecane2050-77-353 % similar
1-Iodoheptane4282-40-053 % similar
1-Iodononane4282-42-253 % similar
Undecyl iodide4282-44-453 % similar
1-Iodododecane4292-19-753 % similar
1-Iodohexadecane544-77-453 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.