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Molecule
Hydrazine, (2,4-Dichlorophenyl)-, Hydrochloride (1:1)
CAS: 5446-18-4 · C6H7Cl3N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 5446-18-4
- Molecular Formula
- C6H7Cl3N2
- Molecular Mass
- 213.50 g/mol
Identifiers
CAS Registry Number
5446-18-4
SMILES
Cl.NNc1ccc(Cl)cc1Cl
InChI Key
DDWYGJVFURAIJZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H6Cl2N2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H
Names and Synonyms
- Hydrazine, (2,4-Dichlorophenyl)-, Hydrochloride (1:1) Systematic Name
- Hydrazine, (2,4-dichlorophenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, (2,4-dichlorophenyl)-, monohydrochloride Synonym
- 2,4-Dichlorophenylhydrazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 213.50 g/mol | CAS Common Chemistry |
| 213.49499999999998 g/mol | RDKit | |
| 213.495 g/mol | RDKit | |
| 213.486 g/mol | chempirical lib | |
| Canonical SMILES | Cl.ClC1=CC=C(NN)C(Cl)=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C6H6Cl2N2.ClH/c7-4-1-2-6(10-9)5(8)3-4;/h1-3,10H,9H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=DDWYGJVFURAIJZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 191-193 °C @ Solvent: Water | CAS Common Chemistry |
| Name | Hydrazine, (2,4-dichlorophenyl)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 11 | 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 | 2.7008 | RDKit |
| 2.5 | chempirical lib | |
| Molar Refractivity | 51.520100000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 211.96748126399999 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 |
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200 ppm
180
160
140
120
100
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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 = 213.50 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7Cl3N2.
