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Molecule
Hydrazine, (3-Chlorophenyl)-, Hydrochloride (1:1)
CAS: 2312-23-4 · C6H8Cl2N2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2312-23-4
- Molecular Formula
- C6H8Cl2N2
- Molecular Mass
- 179.05 g/mol
Identifiers
CAS Registry Number
2312-23-4
SMILES
Cl.NNc1cccc(Cl)c1
InChI Key
CRRIAWUJYMLJOE-UHFFFAOYSA-N
InChI
InChI=1S/C6H7ClN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H
Names and Synonyms
- Hydrazine, (3-Chlorophenyl)-, Hydrochloride (1:1) Systematic Name
- Hydrazine, (3-chlorophenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, (m-chlorophenyl)-, hydrochloride Synonym
- Hydrazine, (3-chlorophenyl)-, monohydrochloride Synonym
- 3-Chlorophenylhydrazine hydrochloride Synonym
- m-Chlorophenylhydrazine hydrochloride Synonym
- N-(3-Chlorophenyl)hydrazine hydrochloride Synonym
- (3-Chlorophenyl)hydrazine monohydrochloride Synonym
- 2-(3-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.ClC1=CC=CC(=C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7ClN2.ClH/c7-5-2-1-3-6(4-5)9-8;/h1-4,9H,8H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=CRRIAWUJYMLJOE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 234-235 °C (decomp) | CAS Common Chemistry |
| Name | Hydrazine, (3-chlorophenyl)-, hydrochloride (1:1) | 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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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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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.
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MW = 179.05 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8Cl2N2.
