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Molecule
Phenylhydrazine
CAS: 100-63-0 · C6H8N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 100-63-0
- Molecular Formula
- C6H8N2
- Molecular Mass
- 108.14 g/mol
Identifiers
CAS Registry Number
100-63-0
SMILES
NNc1ccccc1
InChI Key
HKOOXMFOFWEVGF-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
Names and Synonyms
- Phenylhydrazine Common Name
- Hydrazine, phenyl- Synonym
- Phenylhydrazine Synonym
- Hydrazinobenzene Synonym
- Monophenylhydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 108.14 g/mol | CAS Common Chemistry |
| 108.14399999999998 g/mol | RDKit | |
| 108.144 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.0978 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Phenylhydrazine | 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 |
| 0.9722 | RDKit | |
| Molar Refractivity | 34.25210000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 108.06874825599999 g/mol | RDKit |
| Boiling Point | 71.8 °C @ 1 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 108.14 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8N2.
