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(Pentafluorophenyl)Hydrazine
CAS: 828-73-9 | C6H3F5N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
828-73-9
Molecular Formula:
C6H3F5N2
Molecular Mass:
198.09 g/mol
Names and Synonyms:
(Pentafluorophenyl)Hydrazine
Hydrazine, (2,3,4,5,6-pentafluorophenyl)-
Hydrazine, (pentafluorophenyl)-
(2,3,4,5,6-Pentafluorophenyl)hydrazine
(Pentafluorophenyl)hydrazine
(Perfluorophenyl)hydrazine
NSC 88334
Identifiers:
SMILES:
NNc1c(F)c(F)c(F)c(F)c1F
InChI:
InChI=1S/C6H3F5N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2
Key Properties
Melting Point
75 °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 | 198.09 g/mol | CAS Common Chemistry |
| 198.09399999999997 g/mol | RDKit | |
| 198.021639196 g/mol | RDKit | |
| Canonical SMILES | FC=1C(F)=C(F)C(NN)=C(F)C1F | CAS Common Chemistry |
| InChI | InChI=1S/C6H3F5N2/c7-1-2(8)4(10)6(13-12)5(11)3(1)9/h13H,12H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BYCUWCJUPSUFBX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 75 °C | CAS Common Chemistry |
| Name | (Pentafluorophenyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 13 | 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 | 1.6677 | RDKit |
| Molar Refractivity | 34.042100000000005 | RDKit |
