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Molecule
(2,3,5,6-Tetrafluorophenyl)Hydrazine
CAS: 653-11-2 · C6H4F4N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 653-11-2
- Molecular Formula
- C6H4F4N2
- Molecular Mass
- 180.10 g/mol
Identifiers
CAS Registry Number
653-11-2
SMILES
NNc1c(F)c(F)cc(F)c1F
InChI Key
TYMFVEOXNZYYTF-UHFFFAOYSA-N
InChI
InChI=1S/C6H4F4N2/c7-2-1-3(8)5(10)6(12-11)4(2)9/h1,12H,11H2
Names and Synonyms
- (2,3,5,6-Tetrafluorophenyl)Hydrazine Synonym
- Hydrazine, (2,3,5,6-tetrafluorophenyl)- Synonym
- (2,3,5,6-Tetrafluorophenyl)hydrazine Synonym
- 2,3,5,6-Tetrafluorophenylhydrazine Synonym
- NSC 97000 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.10 g/mol | CAS Common Chemistry |
| 180.10399999999998 g/mol | RDKit | |
| 180.104 g/mol | RDKit | |
| Canonical SMILES | FC=1C=C(F)C(F)=C(NN)C1F | CAS Common Chemistry |
| InChI | InChI=1S/C6H4F4N2/c7-2-1-3(8)5(10)6(12-11)4(2)9/h1,12H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=TYMFVEOXNZYYTF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 92 °C | CAS Common Chemistry |
| Name | (2,3,5,6-Tetrafluorophenyl)hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 1.5286000000000002 | RDKit |
| 1.5286 | RDKit | |
| Molar Refractivity | 34.08410000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 180.031061008 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 180.10 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H4F4N2.
