2-Iodobiphenyl

C12H9ICAS 2113-51-1280.11 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
Density
1.6038 g/mL (at 25 °C)
Melting point
55–57 °C
Boiling point
158 °C (at 6 Torr)
logP
3.96Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
2113-51-1
SMILES
Ic1ccccc1-c1ccccc1
InChIKey
QFUYDAGNUJWBSM-UHFFFAOYSA-N
InChI
InChI=1S/C12H9I/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H

Weigh it out

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

Names and synonyms

9 names
  • 1,1'-Biphenyl, 2-iodo-
  • 1,1′-Biphenyl, 2-iodo-
  • Biphenyl, 2-iodo-
  • 2-Iodo-1,1′-biphenyl
  • o-Phenyliodobenzene
  • o-Iodobiphenyl
  • 2-Iodo-1-phenylbenzene
  • NSC 9283
  • 1-Iodo-2-phenylbenzene

Work with 2-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

O-Terphenyl84-15-158 % similar 1,2-Diiodobenzene615-42-953 % similar 2-Methylbiphenyl643-58-350 % similar 2-Methylbiphenyl648-53-350 % similar 2-Bromobiphenyl2052-07-546 % similar 2-Chlorobiphenyl2051-60-744 % similar 2,6-Diphenylphenol2432-11-344 % similar 2-Fluorobiphenyl321-60-844 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Iodobiphenyl1591-31-7 3-Iodobiphenyl20442-79-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook