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Phenylhydrazine
CAS: 100-63-0 | C6H8N2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
100-63-0
Molecular Formula:
C6H8N2
Molecular Weight:
108.14399999999998 g/mol
Names and Synonyms:
Phenylhydrazine
Phenylhydrazine
Hydrazinobenzene
Monophenylhydrazine
Hydrazine, phenyl-
Identifiers:
SMILES:
NNc1ccccc1
InChI:
InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| density | 1.10 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Phenylhydrazine None | Legacy Database |
| cas-boiling-point | 71.8 °C @ Press: 1 Torr None | Legacy Database |
| cas-canonical-smile | NNC=1C=CC=CC1 None | Legacy Database |
| cas-density | 1.0978 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2 None | Legacy Database |
| cas-inchi-key | InChIKey=HKOOXMFOFWEVGF-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 19.5 °C None | Legacy Database |
| cas-name | Hydrazine, phenyl- None | Legacy Database |
| wikipedia-name | Phenylhydrazine None | Legacy Database |
| molecular_mass | 108.14 g/mol | Legacy Database |
| LogP | 0.9722000000000002 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 108.14399999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 108.06874825599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 8 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.05 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 34.25210000000001 | RDKit |
