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Molecule
3-Fluorophenylhydrazine Hydrochloride
CAS: 2924-16-5 · C6H8ClFN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2924-16-5
- Molecular Formula
- C6H8ClFN2
- Molecular Mass
- 162.60 g/mol
Identifiers
CAS Registry Number
2924-16-5
SMILES
Cl.NNc1cccc(F)c1
InChI Key
SKVGLOFWEJFQKU-UHFFFAOYSA-N
InChI
InChI=1S/C6H7FN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
Names and Synonyms
- 3-Fluorophenylhydrazine Hydrochloride Synonym
- Hydrazine, (3-fluorophenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, (m-fluorophenyl)-, hydrochloride Synonym
- Hydrazine, (3-fluorophenyl)-, monohydrochloride Synonym
- 3-Fluorophenylhydrazine hydrochloride Synonym
- m-Fluorophenylhydrazine hydrochloride Synonym
- 2-(3-Fluorophenyl)hydrazinium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.60 g/mol | CAS Common Chemistry |
| 162.59499999999997 g/mol | RDKit | |
| 162.595 g/mol | RDKit | |
| 162.592 g/mol | chempirical lib | |
| Canonical SMILES | Cl.FC1=CC=CC(=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7FN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=SKVGLOFWEJFQKU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 247 °C (decomp) | CAS Common Chemistry |
| Name | 3-Fluorophenylhydrazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 1.5331 | RDKit |
| 1.66 | chempirical lib | |
| Molar Refractivity | 41.45810000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 162.036004156 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
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60
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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.
External Resources
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MW = 162.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8ClFN2.
