A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Biphenyl are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Biphenyl?

The molecule Biphenyl presents a molecular formula of C12H10 and its IUPAC name is biphenyl.

Biphenyl is an organic compound that consists of two benzene rings connected by a single covalent bond. It is a white solid with a faint odor. It is insoluble in water, but soluble in most organic solvents..

Biphenyl was first isolated in 1834 by the French chemist Auguste Laurent. He obtained it by distilling coal tar. It is produced on a large scale by the hydrogenation of benzene..

The main use of biphenyl is as a component of the heat transfer fluid Dowtherm A. It is also used as an insecticide, a herbicide, and a preservative..

Biphenyl is a polyaromatic hydrocarbon. Polyaromatic hydrocarbons are compounds that contain multiple aromatic rings. These compounds are found in coal tar and petroleum..

Biphenyl is carcinogenic in rats and mice. Exposure to biphenyl can cause liver damage and cancer. The International Agency for Research on Cancer has classified biphenyl as a Group 2B carcinogen, meaning it is possibly carcinogenic to humans..

3D structure

Cartesian coordinates

Geometry of Biphenyl in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing


Biphenyl ZUOUZKKEUPVFJK-UHFFFAOYSA-N chemical compound 2D structure molecule svg


Molecule descriptors

IUPAC namebiphenyl
InChI codeInChI=1S/C2H5Br/c1-2-3/h2H2,1H3

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:

Physico-Chemical properties

IUPAC namebiphenyl
Molecular formulaC12H10
Molecular weight154.208
Melting point (ºC)69
Boiling point (ºC)255
Density (g/cm3)-
Molar refractivity51.88
Topological polar surface area-

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.