Back to Search
4,4′-Difluorobenzhydryl Chloride
CAS: 27064-94-4 | C13H9ClF2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
27064-94-4
Molecular Formula:
C13H9ClF2
Molecular Mass:
238.66 g/mol
Names and Synonyms:
4,4′-Difluorobenzhydryl Chloride
Benzene, 1,1′-(chloromethylene)bis[4-fluoro-
Methane, chlorobis(p-fluorophenyl)-
1,1′-(Chloromethylene)bis[4-fluorobenzene]
Bis(p-fluorophenyl)methyl chloride
4,4′-Difluorobenzhydryl chloride
Bis(4-fluorophenyl)methyl chloride
Chlorobis(p-fluorophenyl)methane
4,4′-Difluorodiphenylmethyl chloride
Chlorobis(4-fluorophenyl)methane
1-[Chloro-(4-fluorophenyl)methyl]-4-fluorobenzene
4,4′-(Chloromethylene)bis(fluorobenzene)
Identifiers:
SMILES:
Fc1ccc(C(Cl)c2ccc(F)cc2)cc1
InChI:
InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H
Key Properties
Boiling Point
129-130 °C @ Press: 2 Torr
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 | 238.66 g/mol | CAS Common Chemistry |
| 238.66400000000002 g/mol | RDKit | |
| 238.036084408 g/mol | RDKit | |
| Boiling Point | 129-130 °C @ Press: 2 Torr | CAS Common Chemistry |
| Canonical SMILES | FC1=CC=C(C=C1)C(Cl)C2=CC=C(F)C=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C13H9ClF2/c14-13(9-1-5-11(15)6-2-9)10-3-7-12(16)8-4-10/h1-8,13H | CAS Common Chemistry |
| InChI Key | InChIKey=FHPNLCLHMNPLEW-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 4,4′-Difluorobenzhydryl chloride | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.293000000000002 | RDKit |
| Molar Refractivity | 60.49600000000002 | RDKit |
