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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 Mass:
108.14 g/mol
Names and Synonyms:
Phenylhydrazine
Hydrazine, phenyl-
Phenylhydrazine
Hydrazinobenzene
Monophenylhydrazine
Identifiers:
SMILES:
NNc1ccccc1
InChI:
InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
Key Properties
Boiling Point
71.8 °C @ Press: 1 Torr
CAS Common Chemistry
Melting Point
19.5 °C
CAS Common Chemistry
Density
1.10 g/cm³
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 | 108.14 g/mol | CAS Common Chemistry |
| 108.14399999999998 g/mol | RDKit | |
| 108.06874825599999 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0978 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylhydrazine | CAS Common Chemistry |
| Boiling Point | 71.8 °C @ Press: 1 Torr | CAS Common Chemistry |
| Canonical SMILES | NNC=1C=CC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HKOOXMFOFWEVGF-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 19.5 °C | CAS Common Chemistry |
| Name | Hydrazine, phenyl- | CAS Common Chemistry |
| Phenylhydrazine | CAS Common Chemistry | |
| Heavy Atom Count | 8 | 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 | 0.9722000000000002 | RDKit |
| Molar Refractivity | 34.25210000000001 | RDKit |
