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Molecule
Hydrazine, (3-Nitrophenyl)-, Hydrochloride (1:1)
CAS: 636-95-3 · C6H8ClN3O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 636-95-3
- Molecular Formula
- C6H8ClN3O2
- Molecular Mass
- 189.60 g/mol
Identifiers
CAS Registry Number
636-95-3
SMILES
Cl.NNc1cccc([N+](=O)[O-])c1
InChI Key
BKOYKMLGFFASBG-UHFFFAOYSA-N
InChI
InChI=1S/C6H7N3O2.ClH/c7-8-5-2-1-3-6(4-5)9(10)11;/h1-4,8H,7H2;1H
Names and Synonyms
- Hydrazine, (3-Nitrophenyl)-, Hydrochloride (1:1) Systematic Name
- Hydrazine, (3-nitrophenyl)-, hydrochloride (1:1) Synonym
- Hydrazine, (m-nitrophenyl)-, hydrochloride Synonym
- Hydrazine, (3-nitrophenyl)-, monohydrochloride Synonym
- m-Nitrophenylhydrazine hydrochloride Synonym
- 3-Nitrophenylhydrazine monohydrochloride Synonym
- (3-Nitrophenyl)hydrazine hydrochloride Synonym
- 1-(3-Nitrophenyl)hydrazine hydrochloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 189.60 g/mol | CAS Common Chemistry |
| 189.60199999999998 g/mol | RDKit | |
| 189.602 g/mol | RDKit | |
| 189.599 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=N(=O)C=1C=CC=C(C1)NN | CAS Common Chemistry |
| InChI | InChI=1S/C6H7N3O2.ClH/c7-8-5-2-1-3-6(4-5)9(10)11;/h1-4,8H,7H2;1H | CAS Common Chemistry |
| InChI Key | InChIKey=BKOYKMLGFFASBG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 208-210 °C @ Solvent: Ethanol | CAS Common Chemistry |
| Name | Hydrazine, (3-nitrophenyl)-, hydrochloride (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 81.19 Ų | RDKit |
| 76.35 Ų | chempirical lib | |
| LogP | 1.3021999999999998 | RDKit |
| 1.3022 | RDKit | |
| Molar Refractivity | 48.154500000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 189.030504176 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 189.60 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8ClN3O2.
