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Molecule
Hydrazine, [3-(Trifluoromethyl)Phenyl]-, Hydrochloride (1:1)
CAS: 3107-33-3 · C7H8ClF3N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 3107-33-3
- Molecular Formula
- C7H8ClF3N2
- Molecular Mass
- 212.60 g/mol
Identifiers
CAS Registry Number
3107-33-3
SMILES
Cl.NNc1cccc(C(F)(F)F)c1
InChI Key
XVVBLYYGZHLQDX-UHFFFAOYSA-N
InChI
InChI=1S/C7H7F3N2.ClH/c8-7(9,10)5-2-1-3-6(4-5)12-11;/h1-4,12H,11H2;1H
Names and Synonyms
- Hydrazine, [3-(Trifluoromethyl)Phenyl]-, Hydrochloride (1:1) Synonym
- Hydrazine, [3-(trifluoromethyl)phenyl]-, hydrochloride (1:1) Synonym
- Hydrazine, [3-(trifluoromethyl)phenyl]-, monohydrochloride Synonym
- Hydrazine, (α,α,α-trifluoro-m-tolyl)-, hydrochloride Synonym
- 3-Trifluoromethylphenylhydrazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 212.60 g/mol | CAS Common Chemistry |
| 212.60199999999995 g/mol | RDKit | |
| 212.602 g/mol | RDKit | |
| 212.599 g/mol | chempirical lib | |
| 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 |
| 2.4128 | RDKit | |
| 2.62 | chempirical lib | |
| Molar Refractivity | 46.502100000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 212.032810596 g/mol | RDKit |
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.
External Resources
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MW = 212.60 g/mol. Edit any field — others recompute live.
