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Molecule
2-Chlorophenylhydrazine Hydrochloride
CAS: 41052-75-9 · C6H8Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 41052-75-9
- Molecular Formula
- C6H8Cl2N2
- Molecular Mass
- 179.05 g/mol
Identifiers
CAS Registry Number
41052-75-9
SMILES
Cl.NNc1ccccc1Cl
InChI Key
ADODRSVGNHNKAT-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H
Names and Synonyms
- 2-Chlorophenylhydrazine Hydrochloride Systematic Name
- Hydrazine, (2-chlorophenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, (2-chlorophenyl)-, monohydrochloride Synonym
- Hydrazine, (o-chlorophenyl)-, hydrochloride Synonym
- 2-Chlorophenylhydrazine hydrochloride Synonym
- (o-Chlorophenyl)hydrazizne hydrochloride Synonym
- o-Chlorophenylhydrazine hydrochloride Synonym
- 2-(2-Chlorophenyl)hydrazinium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 179.05 g/mol | CAS Common Chemistry |
| 179.04999999999998 g/mol | RDKit | |
| 179.044 g/mol | chempirical lib | |
| Canonical SMILES | Cl.ClC=1C=CC=CC1NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7ClN2.ClH/c7-5-3-1-2-4-6(5)9-8;/h1-4,9H,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=ADODRSVGNHNKAT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 198-200 °C (decomp) | CAS Common Chemistry |
| Name | 2-Chlorophenylhydrazine hydrochloride | 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 | 2.0473999999999997 | RDKit |
| 2.0474 | RDKit | |
| 1.93 | chempirical lib | |
| Molar Refractivity | 46.51010000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 178.006453616 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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200 ppm
180
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| 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 = 179.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8Cl2N2.
