Isobutyl iodide

C4H9ICAS 513-38-2184.02 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
1.5869 g/mL (at 30 °C)
Melting point
−93 °C
Boiling point
121.1 °C
logP
2.08Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

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

Aggregated from 47 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, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
513-38-2
SMILES
CC(C)CI
InChIKey
BTUGGGLMQBJCBN-UHFFFAOYSA-N
InChI
InChI=1S/C4H9I/c1-4(2)3-5/h4H,3H2,1-2H3

Weigh it out

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

Names and synonyms

8 names
  • Propane, 1-iodo-2-methyl-
  • 1-Iodo-2-methylpropane
  • 2-Methylpropyl iodide
  • 3-Iodo-2-methylpropane
  • NSC 8421
  • 2-Methyl-1-iodopropane
  • 1-Iodoisobutane
  • 2-Methylpropan-1-yl iodide

Work with Isobutyl 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-Iodo-3-methylbutane541-28-644 % similar 2,4-Dimethylpentane108-08-740 % similar (S)-(+)-1-Iodo-2-methylbutane29394-58-940 % similar 2,5-Dimethylhexane592-13-240 % similar 2,7-Dimethyloctane1072-16-835 % similar Isopentane78-78-435 % similar Triisobutylaluminium100-99-233 % similar Diisobutylamine110-96-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Iodobutane513-48-4 Butyl iodide542-69-8 2-Iodo-2-methylpropane558-17-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook