4-Iodobiphenyl

C12H9ICAS 1591-31-7280.11 g/mol

Open in Covalent MOL file
I
Aryl halide

Properties

Molecular formula
C12H9I
Molar mass
280.11 g/mol
Exact mass
279.9749 Da
Melting point
113.5 °C
Boiling point
320 °C
logP
3.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)Environmental Hazard (GHS09)

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

Precautionary statements

P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, P391, P501

Identifiers

CAS number
1591-31-7
SMILES
Ic1ccc(-c2ccccc2)cc1
InChIKey
NXYICUMSYKIABQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H9I/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H

Weigh it out

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

Names and synonyms

12 names
  • 1,1′-Biphenyl, 4-iodo-
  • Biphenyl, 4-iodo-
  • 4-Iodo-1,1′-biphenyl
  • p-Phenyliodobenzene
  • p-Iodobiphenyl
  • 4-Biphenyl iodide
  • 4-Iododiphenyl
  • p-(Iodophenyl)benzene
  • 4-Phenyliodobenzene
  • NSC 3791
  • 4-Phenyl-1-iodobenzene
  • 1-Iodo-4-phenylbenzene

Work with 4-Iodobiphenyl

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

4,4''-Diiodo-P-terphenyl19053-14-675 % similar 4,4'-Diiodo-1,1'-biphenyl3001-15-875 % similar Iodobenzene591-50-465 % similar 1,3,5-Tris(4-iodophenyl)benzene151417-38-863 % similar para-Quaterphenyl135-70-663 % similar P-Quinquephenyl3073-05-063 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-663 % similar Terphenyl92-94-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Iodobiphenyl20442-79-9 2-Iodobiphenyl2113-51-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook