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Molecule
Phenylhydrazine Hydrochloride
CAS: 59-88-1 · C6H9ClN2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 59-88-1
- Molecular Formula
- C6H9ClN2
- Molecular Mass
- 144.61 g/mol
Identifiers
CAS Registry Number
59-88-1
SMILES
Cl.NNc1ccccc1
InChI Key
JOVOSQBPPZZESK-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H
Names and Synonyms
- Phenylhydrazine Hydrochloride Synonym
- Hydrazine, phenyl-, hydrochloride (1:1) Synonym
- Hydrazine, phenyl-, monohydrochloride Synonym
- Phenylhydrazine monohydrochloride Synonym
- Phenylhydrazinium chloride Synonym
- Phenylhydrazine hydrochloride Synonym
- N-Phenylhydrazine hydrochloride Synonym
- 2-Phenylhydrazinium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 144.61 g/mol | CAS Common Chemistry |
| 144.605 g/mol | RDKit | |
| 144.602 g/mol | chempirical lib | |
| Canonical SMILES | Cl.NNC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2.ClH/c7-8-6-4-2-1-3-5-6;/h1-5,8H,7H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=JOVOSQBPPZZESK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 245 °C (decomp) | CAS Common Chemistry |
| Name | Phenylhydrazine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 1.394 | RDKit |
| 1.37 | chempirical lib | |
| Molar Refractivity | 41.50010000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 144.045425968 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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.
External Resources
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MW = 144.61 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H9ClN2.
