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Molecule
(2,5-Dichlorophenyl)Hydrazine
CAS: 305-15-7 · C6H6Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 305-15-7
- Molecular Formula
- C6H6Cl2N2
- Molecular Mass
- 177.03 g/mol
Identifiers
CAS Registry Number
305-15-7
SMILES
NNc1cc(Cl)ccc1Cl
InChI Key
LZKWWERBNXLGLI-UHFFFAOYSA-N
InChI
InChI=1S/C6H6Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3,10H,9H2
Names and Synonyms
- (2,5-Dichlorophenyl)Hydrazine Synonym
- Hydrazine, (2,5-dichlorophenyl)- Synonym
- (2,5-Dichlorophenyl)hydrazine Synonym
- NSC 6102 Synonym
- N-(2,5-Dichlorophenyl)hydrazine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 177.03 g/mol | CAS Common Chemistry |
| 177.03400000000002 g/mol | RDKit | |
| 177.034 g/mol | RDKit | |
| 177.028 g/mol | chempirical lib | |
| Canonical SMILES | ClC1=CC=C(Cl)C(=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H6Cl2N2/c7-4-1-2-5(8)6(3-4)10-9/h1-3,10H,9H2 | CAS Common Chemistry |
| InChI Key | InChIKey=LZKWWERBNXLGLI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 254-256 °C @ Solvent: Acetic acid | CAS Common Chemistry |
| Name | (2,5-Dichlorophenyl)hydrazine | 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 | 2.279 | RDKit |
| Molar Refractivity | 44.27210000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 175.990803552 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 177.03 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H6Cl2N2.
