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Molecule
[2,6-Dichloro-4-(Trifluoromethyl)Phenyl]Hydrazine
CAS: 86398-94-9 · C7H5Cl2F3N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 86398-94-9
- Molecular Formula
- C7H5Cl2F3N2
- Molecular Mass
- 245.03 g/mol
Identifiers
CAS Registry Number
86398-94-9
SMILES
NNc1c(Cl)cc(C(F)(F)F)cc1Cl
InChI Key
FYOWOHMZNWQLFG-UHFFFAOYSA-N
InChI
InChI=1S/C7H5Cl2F3N2/c8-4-1-3(7(10,11)12)2-5(9)6(4)14-13/h1-2,14H,13H2
Names and Synonyms
- [2,6-Dichloro-4-(Trifluoromethyl)Phenyl]Hydrazine Systematic Name
- Hydrazine, [2,6-dichloro-4-(trifluoromethyl)phenyl]- Synonym
- [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 245.03 g/mol | CAS Common Chemistry |
| 245.03099999999998 g/mol | RDKit | |
| 245.031 g/mol | RDKit | |
| 245.025 g/mol | chempirical lib | |
| 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 |
| 3.2978 | RDKit | |
| Molar Refractivity | 49.274100000000004 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 243.97818818 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 245.03 g/mol. Edit any field — others recompute live.
