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Molecule
[3-(Trifluoromethyl)Phenyl]Hydrazine
CAS: 368-78-5 · C7H7F3N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 368-78-5
- Molecular Formula
- C7H7F3N2
- Molecular Mass
- 176.14 g/mol
Identifiers
CAS Registry Number
368-78-5
SMILES
NNc1cccc(C(F)(F)F)c1
InChI Key
RSESUCWJKLHXEZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H7F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4,12H,11H2
Names and Synonyms
- [3-(Trifluoromethyl)Phenyl]Hydrazine Common Name
- Hydrazine, [3-(trifluoromethyl)phenyl]- Synonym
- Hydrazine, (α,α,α-trifluoro-m-tolyl)- Synonym
- [3-(Trifluoromethyl)phenyl]hydrazine Synonym
- α,α,α-Trifluoro-m-tolylhydrazine Synonym
- 3-Trifluoromethylphenyl hydrazine Synonym
- m-(Trifluoromethyl)phenylhydrazine Synonym
- NSC 157345 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 176.14 g/mol | CAS Common Chemistry |
| 176.141 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C=1C=CC=C(C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H7F3N2/c8-7(9,10)5-2-1-3-6(4-5)12-11/h1-4,12H,11H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RSESUCWJKLHXEZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | [3-(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 |
| 1.81 | chempirical lib | |
| Molar Refractivity | 39.25410000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 176.056132884 g/mol | RDKit |
| Boiling Point | 80-83 °C @ 9 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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.
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MW = 176.14 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7F3N2.
