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[2-(Trifluoromethyl)Phenyl]Hydrazine
CAS: 365-34-4 | C7H7F3N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
365-34-4
Molecular Formula:
C7H7F3N2
Molecular Mass:
176.14 g/mol
Names and Synonyms:
[2-(Trifluoromethyl)Phenyl]Hydrazine
Hydrazine, [2-(trifluoromethyl)phenyl]-
Hydrazine, (α,α,α-trifluoro-o-tolyl)-
[2-(Trifluoromethyl)phenyl]hydrazine
o-(Trifluoromethyl)phenylhydrazine
2-Trifluoromethylphenylhydrazine
1-[2-(Trifluoromethyl)phenyl]hydrazine
Identifiers:
SMILES:
NNc1ccccc1C(F)(F)F
InChI:
InChI=1S/C7H7F3N2/c8-7(9,10)5-3-1-2-4-6(5)12-11/h1-4,12H,11H2
Key Properties
Melting Point
61-62 °C @ Solvent: Ligroine
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 | 176.14 g/mol | CAS Common Chemistry |
| 176.14099999999996 g/mol | RDKit | |
| 176.056132884 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C=1C=CC=CC1NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H7F3N2/c8-7(9,10)5-3-1-2-4-6(5)12-11/h1-4,12H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=JSWQDLBFVSTSIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61-62 °C @ Solvent: Ligroine | CAS Common Chemistry |
| Name | [2-(Trifluoromethyl)phenyl]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 | 1.991 | RDKit |
| Molar Refractivity | 39.25410000000001 | RDKit |
