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[2,3,5,6-Tetrafluoro-4-(Trifluoromethyl)Phenyl]Hydrazine
CAS: 1868-85-5 | C7H3F7N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1868-85-5
Molecular Formula:
C7H3F7N2
Molecular Mass:
248.10 g/mol
Names and Synonyms:
[2,3,5,6-Tetrafluoro-4-(Trifluoromethyl)Phenyl]Hydrazine
Hydrazine, [2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-
Hydrazine, (heptafluoro-p-tolyl)-
[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]hydrazine
NSC 170067
Identifiers:
SMILES:
NNc1c(F)c(F)c(C(F)(F)F)c(F)c1F
InChI:
InChI=1S/C7H3F7N2/c8-2-1(7(12,13)14)3(9)5(11)6(16-15)4(2)10/h16H,15H2
Key Properties
Melting Point
84 °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 | 248.10 g/mol | CAS Common Chemistry |
| 248.10099999999994 g/mol | RDKit | |
| 248.018445636 g/mol | RDKit | |
| Canonical SMILES | FC=1C(F)=C(C(F)=C(F)C1NN)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C7H3F7N2/c8-2-1(7(12,13)14)3(9)5(11)6(16-15)4(2)10/h16H,15H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TVSDZBUZBHRNBV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 84 °C | CAS Common Chemistry |
| Name | [2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.05 Ų | RDKit |
| LogP | 2.5474 | RDKit |
| Molar Refractivity | 39.086099999999995 | RDKit |
