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Hydrazine, [3-(Trifluoromethyl)Phenyl]-, Hydrochloride (1:1)
CAS: 3107-33-3 | C7H8ClF3N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3107-33-3
Molecular Formula:
C7H8ClF3N2
Molecular Mass:
212.60 g/mol
Names and Synonyms:
Hydrazine, [3-(Trifluoromethyl)Phenyl]-, Hydrochloride (1:1)
Hydrazine, [3-(trifluoromethyl)phenyl]-, hydrochloride (1:1)
Hydrazine, [3-(trifluoromethyl)phenyl]-, monohydrochloride
Hydrazine, (α,α,α-trifluoro-m-tolyl)-, hydrochloride
3-Trifluoromethylphenylhydrazine hydrochloride
Identifiers:
SMILES:
Cl.NNc1cccc(C(F)(F)F)c1
InChI:
InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-2-1-3-6(4-5)12-11;/h1-4,12H,11H2;1H
Key Properties
Melting Point
224-225 °C (decomp)
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 | 212.60 g/mol | CAS Common Chemistry |
| 212.60199999999995 g/mol | RDKit | |
| 212.032810596 g/mol | RDKit | |
| Canonical SMILES | Cl.FC(F)(F)C=1C=CC=C(C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-2-1-3-6(4-5)12-11;/h1-4,12H,11H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=XVVBLYYGZHLQDX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 224-225 °C (decomp) | CAS Common Chemistry |
| Name | Hydrazine, [3-(trifluoromethyl)phenyl]-, hydrochloride (1:1) | 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 | 2.4128000000000007 | RDKit |
| Molar Refractivity | 46.502100000000006 | RDKit |
