1,4-Diiodobutane

C₄H₈I₂CAS 628-21-7309.92 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₄H₈I₂
Molar mass: 309.92 g/mol
Exact mass: 309.8715 Da
Density: 2.341 g/mL (at 18 °C)
Melting point: 5.8 °C
Boiling point: 147–152 °C (at 26 Torr)
logP: 2.64Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation97.8% of notifiers
H319 Causes serious eye irritation97.8% of notifiers
H335 May cause respiratory irritation87% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

628-21-7

SMILES

ICCCCI

InChIKey

ROUYUBHVBIKMQO-UHFFFAOYSA-N

InChI

InChI=1S/C4H8I2/c5-3-1-2-4-6/h1-4H2

Weigh it out

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

Names and synonyms

5 names

Butane, 1,4-diiodo-
Tetramethylene diiodide
α,ω-Diiodobutane
1,4-Diodobutane
NSC 31721

Reactions

1,4-DIIODOBUTANE (Butane, 1,4-diiodo-)product

Work with 1,4-Diiodobutane

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

Similar compounds

1,10-Diiododecane16355-92-389 % similar 1,8-Diiodooctane24772-63-289 % similar 1,5-Diiodopentane628-77-389 % similar 1,6-Diiodohexane629-09-489 % similar 1,3-Diiodopropane627-31-678 % similar 1-Chloro-4-iodobutane10297-05-957 % similar 1-Iodopentane628-17-157 % similar 1,2-Diiodoethane624-73-756 % similar

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

Elsewhere

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