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Molecule
Hydrazine, (3-Chloro-4-Methylphenyl)-, Hydrochloride (1:1)
CAS: 54812-56-5 · C7H10Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 54812-56-5
- Molecular Formula
- C7H10Cl2N2
- Molecular Mass
- 193.08 g/mol
Identifiers
CAS Registry Number
54812-56-5
SMILES
Cc1ccc(NN)cc1Cl.Cl
InChI Key
DQDFVQJOXLGGBL-UHFFFAOYSA-N
InChI
InChI=1S/C7H9ClN2.ClH/c1-5-2-3-6(10-9)4-7(5)8;/h2-4,10H,9H2,1H3;1H
Names and Synonyms
- Hydrazine, (3-Chloro-4-Methylphenyl)-, Hydrochloride (1:1) Systematic Name
- Hydrazine, (3-chloro-4-methylphenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, (3-chloro-4-methylphenyl)-, monohydrochloride Synonym
- Hydrazine, (3-chloro-p-tolyl)-, hydrochloride Synonym
- (3-Chloro-4-methylphenyl)hydrazine hydrochloride Synonym
- 1-(3-Chloro-4-methylphenyl)hydrazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 193.08 g/mol | CAS Common Chemistry |
| 193.07700000000003 g/mol | RDKit | |
| 193.077 g/mol | RDKit | |
| 193.071 g/mol | chempirical lib | |
| Canonical SMILES | Cl.ClC1=CC(=CC=C1C)NN | CAS Common Chemistry |
| InChI | InChI=1S/C7H9ClN2.ClH/c1-5-2-3-6(10-9)4-7(5)8;/h2-4,10H,9H2,1H3;1H | CAS Common Chemistry |
| InChI Key | InChIKey=DQDFVQJOXLGGBL-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 230.5-231 °C (decomp) | CAS Common Chemistry |
| Name | Hydrazine, (3-chloro-4-methylphenyl)-, 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 | 2.35582 | RDKit |
| 2.3558 | RDKit | |
| 2.32 | chempirical lib | |
| Molar Refractivity | 51.24710000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1429 | RDKit |
| 0.14 | chempirical lib | |
| Exact Mass | 192.02210368 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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8
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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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40
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 = 193.08 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H10Cl2N2.
