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2,4-Difluoro-1,1′-Biphenyl
CAS: 37847-52-2 | C12H8F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
37847-52-2
Molecular Formula:
C12H8F2
Molecular Mass:
190.19 g/mol
Names and Synonyms:
2,4-Difluoro-1,1′-Biphenyl
1,1′-Biphenyl, 2,4-difluoro-
2,4-Difluoro-1,1′-biphenyl
2,4-Difluorobiphenyl
2,4-Difluoro-1-phenylbenzene
Identifiers:
SMILES:
Fc1ccc(-c2ccccc2)c(F)c1
InChI:
InChI=1S/C12H8F2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H
Key Properties
Melting Point
59-61 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 190.19 g/mol | CAS Common Chemistry |
| 190.19199999999998 g/mol | RDKit | |
| 190.059406696 g/mol | RDKit | |
| Canonical SMILES | FC=1C=CC(=C(F)C1)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C12H8F2/c13-10-6-7-11(12(14)8-10)9-4-2-1-3-5-9/h1-8H | CAS Common Chemistry |
| InChI Key | InChIKey=JVHAJKHGPDDEEU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 59-61 °C | CAS Common Chemistry |
| Name | 2,4-Difluoro-1,1′-biphenyl | CAS Common Chemistry |
| Heavy Atom Count | 14 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.631800000000001 | RDKit |
| Molar Refractivity | 51.79400000000002 | RDKit |
