Butyl iodide

C4H9ICAS 542-69-8184.02 g/mol

Open in Covalent MOL file
I
Alkyl halide

Properties

Molecular formula
C4H9I
Molar mass
184.02 g/mol
Exact mass
183.9749 Da
Density
1.6171 g/mL (at 20 °C)
Melting point
−103 °C
Boiling point
130.6 °C
logP
2.22Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 54 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
542-69-8
SMILES
CCCCI
InChIKey
KMGBZBJJOKUPIA-UHFFFAOYSA-N
InChI
InChI=1S/C4H9I/c1-2-3-4-5/h2-4H2,1H3

Weigh it out

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

Names and synonyms

6 names
  • Butane, 1-iodo-
  • 1-Iodobutane
  • n-Butyl iodide
  • NSC 8420
  • 1-Iodo-n-butane
  • 4-Iodobutane

Work with Butyl 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

Similar compounds

1-Iodopentane628-17-180 % similar 1-Iododecane2050-77-375 % similar 1-Iodoheptane4282-40-075 % similar 1-Iodononane4282-42-275 % similar Undecyl iodide4282-44-475 % similar 1-Iodododecane4292-19-775 % similar 1-Iodohexadecane544-77-475 % similar 1-Iodooctane629-27-675 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isobutyl iodide513-38-2 2-Iodobutane513-48-4 2-Iodo-2-methylpropane558-17-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia