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[2,6-Dichloro-4-(Trifluoromethyl)Phenyl]Hydrazine
CAS: 86398-94-9 | C7H5Cl2F3N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
86398-94-9
Molecular Formula:
C7H5Cl2F3N2
Molecular Mass:
245.03 g/mol
Names and Synonyms:
[2,6-Dichloro-4-(Trifluoromethyl)Phenyl]Hydrazine
Hydrazine, [2,6-dichloro-4-(trifluoromethyl)phenyl]-
[2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine
Identifiers:
SMILES:
NNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChI:
InChI=1S/C7H5Cl2F3N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2,14H,13H2
Key Properties
Melting Point
65-67 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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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 |
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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 | 245.03 g/mol | CAS Common Chemistry |
| 245.03099999999998 g/mol | RDKit | |
| 243.97818818 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C1=CC(Cl)=C(NN)C(Cl)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H5Cl2F3N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2,14H,13H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FYOWOHMZNWQLFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65-67 °C | CAS Common Chemistry |
| Name | [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine | CAS Common Chemistry |
| Heavy Atom Count | 14 | 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 | 3.2978000000000005 | RDKit |
| Molar Refractivity | 49.274100000000004 | RDKit |
