4,4''-Diiodo-P-terphenyl

C₁₈H₁₂I₂CAS 19053-14-6482.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₈H₁₂I₂
Molar mass: 482.10 g/mol
Exact mass: 481.9028 Da
logP: 6.23Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 2

Hazards

Danger

H318 Causes serious eye damage100% of notifiers
H400 Very toxic to aquatic life100% of notifiers
H410 Very toxic 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

P264+P265, P273, P280, P305+P354+P338, P317, P391, P501

Identifiers

CAS number

19053-14-6

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)I)C3=CC=C(C=C3)I

InChIKey

QGMMWGLDOBFHTL-UHFFFAOYSA-N

InChI

InChI=1S/C18H12I2/c19-17-9-5-15(6-10-17)13-1-2-14(4-3-13)16-7-11-18(20)12-8-16/h1-12H

Weigh it out

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

Work with 4,4''-Diiodo-P-terphenyl

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

4,4′-Diiodo-1,1′-biphenyl3001-15-8100 % similar 1,3,5-Tris(4-iodophenyl)benzene151417-38-880 % similar 4-Iodobiphenyl1591-31-775 % similar 1,4-Diiodobenzene624-38-475 % similar 4-Bromo-4'-iodobiphenyl105946-82-567 % similar 4-Hydroxy-4′-iodobiphenyl29558-78-967 % similar 4-Iodo-4'-propylbiphenyl782477-81-055 % similar 4-Iodo-4′-nitro-1,1′-biphenyl29170-08-950 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook