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2,4-Difluorobenzaldehyde
CAS: 1550-35-2 | C7H4F2O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1550-35-2
Molecular Formula:
C7H4F2O
Molecular Mass:
142.10 g/mol
Names and Synonyms:
2,4-Difluorobenzaldehyde
Benzaldehyde, 2,4-difluoro-
2,4-Difluorobenzaldehyde
4-Fluoro-2-fluorobenzaldehyde
4,6-Difluorobenzaldehyde
Identifiers:
SMILES:
O=Cc1ccc(F)cc1F
InChI:
InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
Key Properties
Boiling Point
62-63 °C
CAS Common Chemistry
Melting Point
65-66 °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 | 142.10 g/mol | CAS Common Chemistry |
| 142.10399999999998 g/mol | RDKit | |
| 142.023021188 g/mol | RDKit | |
| Boiling Point | 62-63 °C | CAS Common Chemistry |
| Canonical SMILES | O=CC1=CC=C(F)C=C1F | CAS Common Chemistry |
| InChI | InChI=1S/C7H4F2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H | CAS Common Chemistry |
| InChI Key | InChIKey=WCGPCBACLBHDCI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65-66 °C | CAS Common Chemistry |
| Name | 2,4-Difluorobenzaldehyde | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 17.07 Ų | RDKit |
| LogP | 1.7773 | RDKit |
| Molar Refractivity | 31.745499999999996 | RDKit |
