Formula of Biphenyl (C12H10)
Identification of Biphenyl Chemical Compound
| Chemical Formula | C12H10 |
|---|---|
| Molecular Weight | 154.2078 g/mol |
| IUPAC Name | phenylbenzene |
| SMILES String | c1ccc(cc1)c2ccccc2 |
| InChI | InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H |
| InChIKey | ZUOUZKKEUPVFJK-UHFFFAOYSA-N |
Chemical Formula Description
The Biphenyl molecule contains a total of 22 atom(s). There are 10 Hydrogen atom(s) and 12 Carbon atom(s). A chemical formula of Biphenyl can therefore be written as:
C12H10
The chemical formula of Biphenyl shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.
The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.
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- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
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Additional Information for Identifying Biphenyl Molecule
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Structure Data File (SDF/MOL File) of Biphenyl
The structure data file (SDF/MOL File) of Biphenyl is available for download in the SDF page of Biphenyl providing the information about the atoms, bonds, connectivity and coordinates of Biphenyl, which is not completely available in the chemical formula representation. The Biphenyl structure data file can be imported to most of the cheminformatics software for further analysis and visualization.
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Chemical structure of Biphenyl
The chemical structure image of Biphenyl is available in chemical structure page of Biphenyl, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of Biphenyl and the chemical bonds that hold the atoms together.
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Molecular weight of Biphenyl
The molecular weight of Biphenyl is available in molecular weight page of Biphenyl, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of Biphenyl.
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InChI (IUPAC International Chemical Identifier) information of Biphenyl
The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of Biphenyl is:
InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
It can provide a standard way to encode the molecular information of Biphenyl to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of Biphenyl is:
InChIKey=ZUOUZKKEUPVFJK-UHFFFAOYSA-N
The InChIKey may allow easier web searches for Biphenyl, but it needs to be linked to the full InChI to get back to the original structure of the Biphenyl since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of Biphenyl
The Biphenyl compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of Biphenyl including the registry numbers is given below, if available:
- BBV-76025089
- AR-1H9858
- 72931-46-5
- 56481-93-7
- Biphenyl, United States Pharmacopeia (USP) Reference Standard
- F9995-1632
- Biphenyl, certified reference material, TraceCERT(R)
- W-100283
- I14-6946
- BIPHENYL-RICH AROMATIC HYDROCARBONS COMPLEX
- Biphenyl, PESTANAL(R), analytical standard
- B0465
- B0224
- Biphenyl, Vetec(TM) reagent grade, 99%
- RTC-030794
- Biphenyl, ReagentPlus(R), 99.5%
- BDBM50168002
- ANW-75565
- BIDD:ER0669
- Biphenyl, analytical standard
- [1,1'-biphenyl]-2-yl
- Butenylated 1,1'-biphenyl
- bmse000506
- 2L9GJK6MGN
- Biphenyl, >=99%
- 1,1''-biphenyl
- 4,4'-biphenyl
- Biphenyl rich aromatic hydrocarbons
- Distilled hydrodealkylized toluene
- bi-phenyl
- meta biphenyl
- Biphenyl, 1,1-
- 1,1-Biphenyl
- BNL
- CAS-92-52-4
- 68409-73-4
- E230
- MFCD00003054
- EPA Pesticide Chemical Code 017002
- CP 390
- Aromatic hydrocarbons, biphenyl-rich
- MCS 1572
- FEMA No. 3129
- Biphenyl [BSI:ISO]
- Caswell No. 087
- PHPH
- Carolid AL
- Tetrosin LY
- Phenador-X
- Xenene
- 1,1'-Diphenyl
- Lemonene
- Bibenzene
- DIPHENYL
- 92-52-4
- 1,1'-Biphenyl
- Biphenyl
Biphenyl Identification Summary Frequently Asked Questions (FAQs)
| What’s the chemical formula of Biphenyl? |
|---|
| C12H10 |
| How many atoms and what are they in the Biphenyl structure? |
| 22 atom(s) - 10 Hydrogen atom(s) and 12 Carbon atom(s) |
| How many chemical bonds and what are they in the Biphenyl structure? |
| 23 bond(s) - 13 non-H bond(s), 12 multiple bond(s), 1 rotatable bond(s), 12 aromatic bond(s), and 2 six-membered ring(s) |
| What’s the molecular weight of Biphenyl? |
| 154.2078 g/mol |
| What’s the SMILES string of Biphenyl? |
| c1ccc(cc1)c2ccccc2 |
| What’s the InChI of Biphenyl? |
| InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H |
| What’s the InChIKey of Biphenyl? |
| ZUOUZKKEUPVFJK-UHFFFAOYSA-N |
2040
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Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN
technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).