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3-Fluorophenylhydrazine Hydrochloride
CAS: 2924-16-5 | C6H8ClFN2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2924-16-5
Molecular Formula:
C6H8ClFN2
Molecular Mass:
162.60 g/mol
Names and Synonyms:
3-Fluorophenylhydrazine Hydrochloride
Hydrazine, (3-fluorophenyl)-, hydrochloride (1:1)
Hydrazine, (m-fluorophenyl)-, hydrochloride
Hydrazine, (3-fluorophenyl)-, monohydrochloride
3-Fluorophenylhydrazine hydrochloride
m-Fluorophenylhydrazine hydrochloride
2-(3-Fluorophenyl)hydrazinium chloride
Identifiers:
SMILES:
Cl.NNc1cccc(F)c1
InChI:
InChI=1S/C6H7FN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
Key Properties
Melting Point
247 °C (decomp)
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
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 |
|---|
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 | 162.60 g/mol | CAS Common Chemistry |
| 162.59499999999997 g/mol | RDKit | |
| 162.036004156 g/mol | RDKit | |
| 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 |
| Molar Refractivity | 41.45810000000001 | RDKit |
